![5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid structure](/static/products/4000/400080-07-1.webp)
5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid (CAS 400080-07-1) is a chemical compound with molecular formula C12H8F3N3O4 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
Also Known As: 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid, 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic Acid, 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid, 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylicacid
| Molecular Formula | C12H8F3N3O4 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 1.6114 |
| Topological Polar Surface Area | 105.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0467 |
| Heavy Atoms | 22 |
| Complexity | 739.458 |
Chemical Identifiers
| CAS Number | 400080-07-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)O)CC(=O)O)C(F)(F)F |
Product Overview
5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid (CAS 400080-07-1), with molecular formula C12H8F3N3O4 and molecular weight 315.05 g/mol. IUPAC: 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid.
Chemical Property Profile of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.6114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 105.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic 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 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid is 400080-07-1.
What is the molecular formula of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid is C12H8F3N3O4.
What is the molecular weight of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid is 315.05 g/mol.
Where can I buy 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-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 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(carboxymethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.