![2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/898/898126-98-2.png)
2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid
TL;DR: 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid (CAS 898126-98-2) is a chemical compound with molecular formula C11H9ClN4O3S and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid
Also Known As: A4001/0170539, 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid, 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid, 5-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-2-chlorobenzoic acid
| Molecular Formula | C11H9ClN4O3S |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 1.8871 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0084 |
| Heavy Atoms | 20 |
| Complexity | 632.6034 |
Chemical Identifiers
| CAS Number | 898126-98-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CSC2=NC=NN2)C(=O)O)Cl |
Product Overview
2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid (CAS 898126-98-2), with molecular formula C11H9ClN4O3S and molecular weight 312.01 g/mol. IUPAC: 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid.
Chemical Property Profile of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid
Property Insights of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid
The XLogP value of 1.8871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}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 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid?
The CAS number of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid is 898126-98-2.
What is the molecular formula of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid is C11H9ClN4O3S.
What is the molecular weight of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid is 312.01 g/mol.
Where can I buy 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}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-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.