![2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid structure](/static/products/6341/634166-39-5.webp)
2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
TL;DR: 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 634166-39-5) is a chemical compound with molecular formula C16H11ClFN5O3S and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: AN-465/42154556, 2-chloro-5-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)benzoic acid, 2-chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid, 2-chloro-5-(5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid, 2-chloro-5-(5-{[N-(4-fluorophenyl)carbamoyl]methylthio}(1,2,3,4-tetraazolyl))b enzoic acid
| Molecular Formula | C16H11ClFN5O3S |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 2.8838 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.0255 |
| Heavy Atoms | 27 |
| Complexity | 995.97577 |
Chemical Identifiers
| CAS Number | 634166-39-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)F |
Product Overview
2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 634166-39-5), with molecular formula C16H11ClFN5O3S and molecular weight 407.03 g/mol. IUPAC: 2-chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Property Insights of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
The XLogP value of 2.8838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic 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 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The CAS number of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 634166-39-5.
What is the molecular formula of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular formula of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is C16H11ClFN5O3S.
What is the molecular weight of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular weight of 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 407.03 g/mol.
Where can I buy 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
You can request a quote for 2-Chloro-5-[5-[2-(4-fluoroanilino)-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-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.