methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
TL;DR: methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate (CAS 590357-28-1) is a chemical compound with molecular formula C18H20N4O3S3 and molecular weight 436.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate, METHYL 2-(2-{[5-(4,5-DIMETHYLTHIOPHEN-3-YL)-4-ETHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)THIOPHENE-3-CARBOXYLATE, methyl 2-[({[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate, methyl 2-[[2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate, methyl 2-{2-[5-(4,5-dimethyl(3-thienyl))-4-ethyl-1,2,4-triazol-3-ylthio]acetyl amino}thiophene-3-carboxylate
| Molecular Formula | C18H20N4O3S3 |
|---|---|
| Molecular Weight | 436.07 g/mol |
| LogP | 4.22224 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.06976 |
| Heavy Atoms | 28 |
| Complexity | 1005.8075 |
Chemical Identifiers
| CAS Number | 590357-28-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CSC(=C3C)C |
Product Overview
methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate (CAS 590357-28-1), with molecular formula C18H20N4O3S3 and molecular weight 436.07 g/mol. IUPAC: methyl 2-[[2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
Property Insights of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate
The XLogP value of 4.22224 indicates that methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-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 methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The CAS number of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is 590357-28-1.
What is the molecular formula of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is C18H20N4O3S3.
What is the molecular weight of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate is 436.07 g/mol.
Where can I buy methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.