2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
TL;DR: 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid (CAS 838880-91-4) is a chemical compound with molecular formula C13H8ClN5O2S and molecular weight 333.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
Also Known As: A3933/0167441, 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid, 2-chloro-5-(3-mercapto-5-(pyrazin-2-yl)-4H-1,2,4-triazol-4-yl)benzoic acid, 2-CHLORO-5-[3-(2-PYRAZINYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]BENZOIC ACID, 2-chloro-5-[3-(pyrazin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C13H8ClN5O2S |
|---|---|
| Molecular Weight | 333.01 g/mol |
| LogP | 2.73849 |
| Topological Polar Surface Area | 96.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.00873 |
| Heavy Atoms | 22 |
| Complexity | 906.29395 |
Chemical Identifiers
| CAS Number | 838880-91-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=NNC2=S)C3=NC=CN=C3)C(=O)O)Cl |
Product Overview
2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid (CAS 838880-91-4), with molecular formula C13H8ClN5O2S and molecular weight 333.01 g/mol. IUPAC: 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid.
Chemical Property Profile of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
Property Insights of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
The XLogP value of 2.73849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid. The TPSA of 96.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid has 2 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 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid?
The CAS number of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid is 838880-91-4.
What is the molecular formula of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid?
The molecular formula of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid is C13H8ClN5O2S.
What is the molecular weight of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid?
The molecular weight of 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid is 333.01 g/mol.
Where can I buy 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid?
You can request a quote for 2-chloro-5-(3-pyrazin-2-yl-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 2-chloro-5-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-(3-pyrazin-2-yl-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.