![5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid structure](/static/products/4390/439095-12-2.webp)
5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid (CAS 439095-12-2) is a chemical compound with molecular formula C12H8F3N3O5 and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxylic acid
Also Known As: 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid, 3E-034, 5-(Carboxymethyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazole-4-carboxylic acid, 5-(carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxylic Acid, carboxymethyltrifluoromethoxyphenyltriazolecarboxylicacid
| Molecular Formula | C12H8F3N3O5 |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 1.4912 |
| Topological Polar Surface Area | 114.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.0416 |
| Heavy Atoms | 23 |
| Complexity | 739.38983 |
Chemical Identifiers
| CAS Number | 439095-12-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(N=N2)C(=O)O)CC(=O)O)OC(F)(F)F |
Product Overview
5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid (CAS 439095-12-2), with molecular formula C12H8F3N3O5 and molecular weight 331.04 g/mol. IUPAC: 5-(carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxylic acid.
Chemical Property Profile of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.4912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 114.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic 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 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid is 439095-12-2.
What is the molecular formula of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid is C12H8F3N3O5.
What is the molecular weight of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid is 331.04 g/mol.
Where can I buy 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Carboxymethyl)-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.