2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid
TL;DR: 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid (CAS 53003-94-4) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(1H-1,2,4-triazol-5-yldiazenyl)benzoic acid
Also Known As: 3H-<1,2,4>triazolo<3,2-i>purine, J3.416.544K, 2-Hydroxy-5-(1H-1,2,4-triazole-5-ylazo)benzoic acid, 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid, (3E)-6-oxo-3-(1H-1,2,4-triazol-5-ylhydrazinylidene)cyclohexa
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 53003-94-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=NC2=NC=NN2)C(=O)O)O |
| InChIKey | RPYASWUZCFPBJY-UHFFFAOYSA-N |
Product Overview
2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid (CAS 53003-94-4), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: 2-hydroxy-5-(1H-1,2,4-triazol-5-yldiazenyl)benzoic acid.
Chemical Property Profile of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid
Property Insights of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid. Following Lipinski's Rule of Five, 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid has 3 hydrogen bond donor(s) and 7 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-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid?
The CAS number of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid is 53003-94-4.
What is the molecular formula of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid?
The molecular formula of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid is C9H7N5O3.
What is the molecular weight of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid?
The molecular weight of 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid is 233.05 g/mol.
Where can I buy 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid?
You can request a quote for 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)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-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-5-(4H-1,2,4-triazol-3-yldiazenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.