![ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate structure](/static/products/7109/710983-53-2.webp)
ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate (CAS 710983-53-2) is a chemical compound with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate, ETHYL 2-({2-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETYL}AMINO)-5-PHENYL-3-THIOPHENECARBOXYLATE, ethyl 2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate, ethyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate, ETHYL 2-{2-[(4-METHYL-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-5-PHENYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H18N4O3S2 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 3.4511 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.08203 |
| Heavy Atoms | 27 |
| Complexity | 937.24713 |
Chemical Identifiers
| CAS Number | 710983-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=CN3C |
Product Overview
ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate (CAS 710983-53-2), with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol. IUPAC: ethyl 2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate
The XLogP value of 3.4511 indicates that ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate is 710983-53-2.
What is the molecular formula of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate is C18H18N4O3S2.
What is the molecular weight of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate is 402.08 g/mol.
Where can I buy ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.