![4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid structure](/static/products/361/361465-91-0.png)
4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
TL;DR: 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid (CAS 361465-91-0) is a chemical compound with molecular formula C15H10BrN3O2S and molecular weight 374.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A2481/0105428, 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid, 4-[3-(4-Bromo-phenyl)-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl]-benzoic acid, 4-[3-(4-bromophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid, 4-(3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)benzoic acid
| Molecular Formula | C15H10BrN3O2S |
|---|---|
| Molecular Weight | 374.97 g/mol |
| LogP | 4.05759 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.9677 |
| Heavy Atoms | 22 |
| Complexity | 882.40106 |
Chemical Identifiers
| CAS Number | 361465-91-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)Br |
Product Overview
4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid (CAS 361465-91-0), with molecular formula C15H10BrN3O2S and molecular weight 374.97 g/mol. IUPAC: 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Property Insights of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
The XLogP value of 4.05759 indicates that 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid has 2 hydrogen bond donor(s) and 3 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-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid?
The CAS number of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid is 361465-91-0.
What is the molecular formula of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid?
The molecular formula of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid is C15H10BrN3O2S.
What is the molecular weight of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid?
The molecular weight of 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid is 374.97 g/mol.
Where can I buy 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid?
You can request a quote for 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-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-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.