ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1005617-41-3) is a chemical compound with molecular formula C21H27ClN6O3S2 and molecular weight 510.12747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-[[4-butyl-5-(4-chloro-1-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-[(2-{[4-BUTYL-5-(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE, ethyl 2-[[2-[[4-butyl-5-(4-chloro-1-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C21H27ClN6O3S2 |
| Molecular Weight | 510.12747 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.12747 Da |
| Heavy Atoms | 33 |
| Complexity | 680.0 |
| SMILES | CCCCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)C3=NN(C=C3Cl)C |
| InChIKey | XWWBHFSYNIYKRU-UHFFFAOYSA-N |
Product Description
Applications: AC1NHKV9 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, AC1NHKV9 (CAS 1005617-41-3) has the molecular formula C21H27ClN6O3S2 and a molecular weight of 510.13 g/mol. Synonyms include ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate and ethyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation 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-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.5 indicates that ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-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 157.0 Ų indicates high polarity, suggesting ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-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-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 1005617-41-3.
What is the molecular formula of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is C21H27ClN6O3S2.
What is the molecular weight of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 510.12747 g/mol.
What are the applications of ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
AC1NHKV9 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-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-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-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(2-((4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-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.