2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid
TL;DR: 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid (CAS 851175-96-7) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylic acid
Also Known As: 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid, 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylic acid, 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic Acid, 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylicacid
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.89076 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 587.4318 |
Chemical Identifiers
| CAS Number | 851175-96-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)O)C)C |
Product Overview
2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid (CAS 851175-96-7), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylic acid.
Chemical Property Profile of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid
Property Insights of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.89076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid is 851175-96-7.
What is the molecular formula of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid is C12H13N3O2.
What is the molecular weight of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid is 231.10 g/mol.
Where can I buy 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.