![1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid structure](/static/products/795/795266-50-1.png)
1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid
TL;DR: 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid (CAS 795266-50-1) is a chemical compound with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid
Also Known As: 1-[(3-tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid, 1-[(4-methoxy-3-tert-butyl-phenyl)methyl]triazole-4,5-dicarboxylic Acid, 1-(3-(tert-Butyl)-4-methoxybenzyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid, 1-(3-(tert-Butyl)-4-methoxybenzyl)-1H-1,2,3-triazole-4,5-dicarboxylicacid
| Molecular Formula | C16H19N3O5 |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 2.0289 |
| Topological Polar Surface Area | 114.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.13248 |
| Heavy Atoms | 24 |
| Complexity | 789.496 |
Chemical Identifiers
| CAS Number | 795266-50-1 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)CN2C(=C(N=N2)C(=O)O)C(=O)O)OC |
Product Overview
1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid (CAS 795266-50-1), with molecular formula C16H19N3O5 and molecular weight 333.13 g/mol. IUPAC: 1-[(3-tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid.
Chemical Property Profile of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid
Property Insights of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid
The XLogP value of 2.0289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid. The TPSA of 114.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid. Following Lipinski's Rule of Five, 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic 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 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid?
The CAS number of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid is 795266-50-1.
What is the molecular formula of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid?
The molecular formula of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid is C16H19N3O5.
What is the molecular weight of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid?
The molecular weight of 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid is 333.13 g/mol.
Where can I buy 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid?
You can request a quote for 1-[(3-Tert-butyl-4-methoxyphenyl)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-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.