![2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid structure](/static/products/6341/634166-37-3.webp)
2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
TL;DR: 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 634166-37-3) is a chemical compound with molecular formula C18H14ClN5O5S and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid, AN-465/42154557, A3244/0137819, 2-chloro-5-[5-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-1H-tetraazol-1-yl]benzoic acid, 2-chloro-5-(5-((2-((2-(methoxycarbonyl)phenyl)amino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid
| Molecular Formula | C18H14ClN5O5S |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 2.5313 |
| Topological Polar Surface Area | 136.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.0404 |
| Heavy Atoms | 30 |
| Complexity | 1119.8514 |
Chemical Identifiers
| CAS Number | 634166-37-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 634166-37-3), with molecular formula C18H14ClN5O5S and molecular weight 447.04 g/mol. IUPAC: 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Property Insights of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
The XLogP value of 2.5313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. The TPSA of 136.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid has 2 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 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The CAS number of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 634166-37-3.
What is the molecular formula of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular formula of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is C18H14ClN5O5S.
What is the molecular weight of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular weight of 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 447.04 g/mol.
Where can I buy 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
You can request a quote for 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-[5-[2-(2-methoxycarbonylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.