![4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid structure](/static/products/3464/346464-83-3.webp)
4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
TL;DR: 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 346464-83-3) is a chemical compound with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: BAS 03818767, 4-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid, 4-(5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-1H-tetrazol-1-yl)benzoic acid, 4-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid, 4-{5-[(4-Fluoro-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid
| Molecular Formula | C16H12FN5O3S |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 2.2304 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.06448 |
| Heavy Atoms | 26 |
| Complexity | 927.8181 |
Chemical Identifiers
| CAS Number | 346464-83-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 346464-83-3), with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol. IUPAC: 4-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Property Insights of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
The XLogP value of 2.2304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[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 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[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 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The CAS number of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 346464-83-3.
What is the molecular formula of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular formula of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is C16H12FN5O3S.
What is the molecular weight of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular weight of 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 373.06 g/mol.
Where can I buy 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
You can request a quote for 4-[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 4-[5-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[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.