5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid
TL;DR: 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid (CAS 672264-63-0) is a chemical compound with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]-2-chlorobenzoic acid
Also Known As: 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid, 5-[5-(benzhydrylcarbamoylmethylsulfanyl)tetrazol-1-yl]-2-chloro-benzoic Acid, 5-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]-2-chlorobenzoic acid, 5-{5-[(Benzhydryl-carbamoyl)-methylsulfanyl]-tetrazol-1-yl}-2-chloro-benzoic acid, 2-chloro-5-[5-({2-[(diphenylmethyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
| Molecular Formula | C23H18ClN5O3S |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 4.0118 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.08188 |
| Heavy Atoms | 33 |
| Complexity | 1228.1041 |
Chemical Identifiers
| CAS Number | 672264-63-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC(=C(C=C4)Cl)C(=O)O |
Product Overview
5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid (CAS 672264-63-0), with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol. IUPAC: 5-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]-2-chlorobenzoic acid.
Chemical Property Profile of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid
Property Insights of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid
The XLogP value of 4.0118 indicates that 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid has 2 hydrogen bond donor(s) and 6 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 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid?
The CAS number of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid is 672264-63-0.
What is the molecular formula of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid?
The molecular formula of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid is C23H18ClN5O3S.
What is the molecular weight of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid?
The molecular weight of 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid is 479.08 g/mol.
Where can I buy 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid?
You can request a quote for 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-((2-(benzhydrylamino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.