![methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/5887/588710-65-0.webp)
methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate (CAS 588710-65-0) is a chemical compound with molecular formula C19H21N3O6S2 and molecular weight 451.0872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate, methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yloxy)propanoyl)hydrazinecarbothioamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazinyl}carbonothioyl)amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C19H21N3O6S2 |
| Molecular Weight | 451.0872 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.0872 Da |
| Heavy Atoms | 30 |
| Complexity | 654.0 |
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C(C)OC2=CC3=C(C=C2)OCO3)C |
| InChIKey | LCKUKNKQPRMJNW-UHFFFAOYSA-N |
Product Description
Applications: AC1NPHT0 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NPHT0 (CAS 588710-65-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1NPHT0 is a fine chemical identified by CAS number 588710-65-0 and the molecular formula C19H21N3O6S2 and a molecular weight of 451.09 g/mol. It is also known as methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate and methyl 2-(2-(2-(benzo[d][1,3]dioxol-5-yloxy)propanoyl)hydrazinecarbothioamido)-4,5-dimethylthiophene-3-carboxylate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.1 indicates that methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is 588710-65-0.
What is the molecular formula of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is C19H21N3O6S2.
What is the molecular weight of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate is 451.0872 g/mol.
What are the applications of methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
AC1NPHT0 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1NPHT0 (CAS 588710-65-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 2-({[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxy)propanoylamino)amino]thiox omethyl}amino)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.