1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid
TL;DR: 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid (CAS 50907-17-0) is a chemical compound with molecular formula C7H5N3O3 and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxybenzotriazole-5-carboxylic acid
Also Known As: 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid, 3-hydroxybenzotriazole-5-carboxylic Acid, 1-hydroxybenzotriazole-6-carboxylic acid, 1-Hydroxy-1H-benzotriazole-6-carboxylic acid, 3-Hydroxy-3H-benzotriazole-5-carboxylic acid
| Molecular Formula | C7H5N3O3 |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 0.3668 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0331 |
| Heavy Atoms | 13 |
| Complexity | 476.78754 |
Chemical Identifiers
| CAS Number | 50907-17-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)N(N=N2)O |
Product Overview
1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid (CAS 50907-17-0), with molecular formula C7H5N3O3 and molecular weight 179.03 g/mol. IUPAC: 3-hydroxybenzotriazole-5-carboxylic acid.
Chemical Property Profile of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid
Property Insights of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid
The XLogP value of 0.3668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid. Following Lipinski's Rule of Five, 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid?
The CAS number of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid is 50907-17-0.
What is the molecular formula of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid?
The molecular formula of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid is C7H5N3O3.
What is the molecular weight of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid?
The molecular weight of 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid is 179.03 g/mol.
Where can I buy 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid?
You can request a quote for 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-1H-1,2,3-benzotriazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.