![(5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid structure](/static/products/883/883545-68-4.png)
(5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid
TL;DR: (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid (CAS 883545-68-4) is a chemical compound with molecular formula C5H5F3N4O2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid
Also Known As: BAS 10148939, (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid, 2-(5-Amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)acetic acid, BRD-K99501622-001-01-0, 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazolyl]acetic acid
| Molecular Formula | C5H5F3N4O2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | -0.0363 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.03645 |
| Heavy Atoms | 14 |
| Complexity | 358.349 |
Chemical Identifiers
| CAS Number | 883545-68-4 |
|---|---|
| SMILES | C(C(=O)O)N1C(=NC(=N1)C(F)(F)F)N |
Product Overview
(5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid (CAS 883545-68-4), with molecular formula C5H5F3N4O2 and molecular weight 210.04 g/mol. IUPAC: 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid.
Chemical Property Profile of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid
Property Insights of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid
The XLogP value of -0.0363 indicates that (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid. Following Lipinski's Rule of Five, (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic 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-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid?
The CAS number of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid is 883545-68-4.
What is the molecular formula of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid?
The molecular formula of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid is C5H5F3N4O2.
What is the molecular weight of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid?
The molecular weight of (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid is 210.04 g/mol.
Where can I buy (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid?
You can request a quote for (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.