6-Methoxy-1H-benzotriazole-5-carboxylic acid
TL;DR: 6-Methoxy-1H-benzotriazole-5-carboxylic acid (CAS 59338-92-0) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2H-benzotriazole-5-carboxylic acid
Also Known As: 6-Methoxy-1H-benzotriazole-5-carboxylic acid, 6-methoxy-1H-1,2,3-benzotriazole-5-carboxylic acid, INTERMEDIATE OF ALIZAPRIDE, 6-methoxy-2H-benzotriazole-5-carboxylic acid, 6-Methoxy-1H-benzo[d][1,2,3]triazole-5-carboxylic acid
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 59338-92-0 |
|---|---|
| SMILES | COC1=CC2=NNN=C2C=C1C(=O)O |
| InChIKey | GILWQWDMFSVMCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxy-1H-benzotriazole-5-carboxylic acid (CAS 59338-92-0), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: 6-methoxy-2H-benzotriazole-5-carboxylic acid.
Chemical Property Profile of 6-Methoxy-1H-benzotriazole-5-carboxylic acid
Property Insights of 6-Methoxy-1H-benzotriazole-5-carboxylic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-1H-benzotriazole-5-carboxylic acid. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-1H-benzotriazole-5-carboxylic acid. Following Lipinski's Rule of Five, 6-Methoxy-1H-benzotriazole-5-carboxylic 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 6-Methoxy-1H-benzotriazole-5-carboxylic acid?
The CAS number of 6-Methoxy-1H-benzotriazole-5-carboxylic acid is 59338-92-0.
What is the molecular formula of 6-Methoxy-1H-benzotriazole-5-carboxylic acid?
The molecular formula of 6-Methoxy-1H-benzotriazole-5-carboxylic acid is C8H7N3O3.
What is the molecular weight of 6-Methoxy-1H-benzotriazole-5-carboxylic acid?
The molecular weight of 6-Methoxy-1H-benzotriazole-5-carboxylic acid is 193.05 g/mol.
Where can I buy 6-Methoxy-1H-benzotriazole-5-carboxylic acid?
You can request a quote for 6-Methoxy-1H-benzotriazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-1H-benzotriazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-1H-benzotriazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.