![Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- structure](/static/products/382/382629-68-7.png)
Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-
TL;DR: Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- (CAS 382629-68-7) is a chemical compound with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid
Also Known As: Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-, 2,3-dimethoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid, (E)-6-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,3-dimethoxybenzoic acid, 2,3-dimethoxy-6-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzoic acid
| Molecular Formula | C12H12N4O4 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 0.8757 |
| Topological Polar Surface Area | 98.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.08585 |
| Heavy Atoms | 20 |
| Complexity | 637.1569 |
Chemical Identifiers
| CAS Number | 382629-68-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=N/N2C=NN=C2)C(=O)O)OC |
Product Overview
Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- (CAS 382629-68-7), with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol. IUPAC: 2,3-dimethoxy-6-[(E)-1,2,4-triazol-4-yliminomethyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-
Property Insights of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-
The XLogP value of 0.8757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-. The TPSA of 98.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-. Following Lipinski's Rule of Five, Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- has 1 hydrogen bond donor(s) and 6 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 Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-?
The CAS number of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- is 382629-68-7.
What is the molecular formula of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-?
The molecular formula of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- is C12H12N4O4.
What is the molecular weight of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-?
The molecular weight of Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- is 276.09 g/mol.
Where can I buy Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-?
You can request a quote for Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,3-dimethoxy-6-([1,2,4]triazol-4-yliminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.