![1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid structure](/static/products/866/866844-61-3.png)
1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid
TL;DR: 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid (CAS 866844-61-3) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid
Also Known As: 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid, 1-(4-ethylbenzyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid, 1-[(4-ethylphenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid, F1605-0988
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 1.2852 |
| Topological Polar Surface Area | 105.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 646.1359 |
Chemical Identifiers
| CAS Number | 866844-61-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)C(=O)O |
Product Overview
1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid (CAS 866844-61-3), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid.
Chemical Property Profile of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid
Property Insights of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid
The XLogP value of 1.2852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid. The TPSA of 105.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid. Following Lipinski's Rule of Five, 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic 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-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid?
The CAS number of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid is 866844-61-3.
What is the molecular formula of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid?
The molecular formula of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid is C13H13N3O4.
What is the molecular weight of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid?
The molecular weight of 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid is 275.09 g/mol.
Where can I buy 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid?
You can request a quote for 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.