ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1005616-26-1) is a chemical compound with molecular formula C22H23ClN6O4S2 and molecular weight 534.09106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-[(2-{[5-(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)-4-(2-FURYLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE, ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C22H23ClN6O4S2 |
| Molecular Weight | 534.09106 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 534.09106 Da |
| Heavy Atoms | 35 |
| Complexity | 757.0 |
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NN(C=C4Cl)C |
| InChIKey | XAFMWHCPMZYCIO-UHFFFAOYSA-N |
Product Description
Applications: AC1NHK17 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, AC1NHK17 (CAS 1005616-26-1) has the molecular formula C22H23ClN6O4S2 and a molecular weight of 534.09 g/mol. Synonyms include ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate and ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.1 indicates that ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 1005616-26-1.
What is the molecular formula of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is C22H23ClN6O4S2.
What is the molecular weight of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 534.09106 g/mol.
What are the applications of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
AC1NHK17 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.