![4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid structure](/static/products/6341/634166-45-3.webp)
4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
TL;DR: 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid (CAS 634166-45-3) is a chemical compound with molecular formula C15H11FN4O2S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-[[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid, AN-465/42154560, 4-({[1-(4-fluorophenyl)-1H-tetrazol-5-yl]thio}methyl)benzoic acid, 4-({[1-(4-fluorophenyl)-1H-tetraazol-5-yl]sulfanyl}methyl)benzoic acid, 4-(((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)methyl)benzoic acid
| Molecular Formula | C15H11FN4O2S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 2.7919 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.0587 |
| Heavy Atoms | 23 |
| Complexity | 818.2531 |
Chemical Identifiers
| CAS Number | 634166-45-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)F)C(=O)O |
Product Overview
4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid (CAS 634166-45-3), with molecular formula C15H11FN4O2S and molecular weight 330.06 g/mol. IUPAC: 4-[[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
Property Insights of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
The XLogP value of 2.7919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid has 1 hydrogen bond donor(s) and 5 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-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
The CAS number of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is 634166-45-3.
What is the molecular formula of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
The molecular formula of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is C15H11FN4O2S.
What is the molecular weight of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
The molecular weight of 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is 330.06 g/mol.
Where can I buy 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
You can request a quote for 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]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-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[1-(4-Fluorophenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.