1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 54698-60-1) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-methyltriazole-4-carboxylic acid
Also Known As: 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, 1-Benzyl-5-methyl-1H-[1,2,3]triazole-4-carboxylic Acid, 1-benzyl-5-methyltriazole-4-carboxylic acid, 1-benzyl-5-methyl-triazole-4-carboxylic Acid, 1-Benzyl-4-carboxy-5-methyl-1H-1,2,3-triazole
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.33302 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 505.20316 |
Chemical Identifiers
| CAS Number | 54698-60-1 |
|---|---|
| SMILES | CC1=C(N=NN1CC2=CC=CC=C2)C(=O)O |
Product Overview
1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 54698-60-1), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 1-benzyl-5-methyltriazole-4-carboxylic acid.
Chemical Property Profile of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.33302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-Benzyl-5-methyl-1H-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 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is 54698-60-1.
What is the molecular formula of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is C11H11N3O2.
What is the molecular weight of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is 217.09 g/mol.
Where can I buy 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 1-Benzyl-5-methyl-1H-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 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.