![methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate structure](/static/products/874/874466-61-2.png)
methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
TL;DR: methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate (CAS 874466-61-2) is a chemical compound with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))acetylamino]thi ophene-3-carboxylate
| Molecular Formula | C17H17N5O3S2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.85804 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.07727 |
| Heavy Atoms | 27 |
| Complexity | 968.36664 |
Chemical Identifiers
| CAS Number | 874466-61-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C |
Product Overview
methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate (CAS 874466-61-2), with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
Property Insights of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
The XLogP value of 2.85804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)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 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate?
The CAS number of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate is 874466-61-2.
What is the molecular formula of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate?
The molecular formula of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate is C17H17N5O3S2.
What is the molecular weight of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate?
The molecular weight of methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate is 403.08 g/mol.
Where can I buy methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate?
You can request a quote for methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)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 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,5-dimethyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.