![4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid structure](/static/products/955/955890-76-3.png)
4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid
TL;DR: 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid (CAS 955890-76-3) is a chemical compound with molecular formula C16H11N5O3S and molecular weight 353.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid, 4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid, 4-(3-(3-(furan-2-yl)-1H-pyrazol-5-yl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid, 4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid, 4-[3-[5-(2-furyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C16H11N5O3S |
|---|---|
| Molecular Weight | 353.06 g/mol |
| LogP | 3.27819 |
| Topological Polar Surface Area | 112.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.05826 |
| Heavy Atoms | 25 |
| Complexity | 1089.7128 |
Chemical Identifiers
| CAS Number | 955890-76-3 |
|---|---|
| SMILES | C1=COC(=C1)C2=CC(=NN2)C3=NNC(=S)N3C4=CC=C(C=C4)C(=O)O |
Product Overview
4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid (CAS 955890-76-3), with molecular formula C16H11N5O3S and molecular weight 353.06 g/mol. IUPAC: 4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
Chemical Property Profile of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid
Property Insights of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid
The XLogP value of 3.27819 indicates that 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid. Following Lipinski's Rule of Five, 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid has 3 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-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid?
The CAS number of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid is 955890-76-3.
What is the molecular formula of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid?
The molecular formula of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid is C16H11N5O3S.
What is the molecular weight of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid?
The molecular weight of 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid is 353.06 g/mol.
Where can I buy 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid?
You can request a quote for 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[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-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.