2-Amino-3-(trifluoromethyl)benzoate
TL;DR: 2-Amino-3-(trifluoromethyl)benzoate (CAS 313-12-2) is a chemical compound with molecular formula C8H5F3NO2- and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(trifluoromethyl)benzoate
Also Known As: 2-amino-3-trifluoromethylbenzoic acid, 2-Amino-3-(Trifluoromethyl)BenzoicAcid
| Molecular Formula | C8H5F3NO2- |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | 0.6511 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.02724 |
| Heavy Atoms | 14 |
| Complexity | 373.33942 |
Chemical Identifiers
| CAS Number | 313-12-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(F)(F)F)N)C(=O)[O-] |
Product Overview
2-Amino-3-(trifluoromethyl)benzoate (CAS 313-12-2), with molecular formula C8H5F3NO2- and molecular weight 204.03 g/mol. IUPAC: 2-amino-3-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-Amino-3-(trifluoromethyl)benzoate
Property Insights of 2-Amino-3-(trifluoromethyl)benzoate
The XLogP value of 0.6511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(trifluoromethyl)benzoate. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, 2-Amino-3-(trifluoromethyl)benzoate has 1 hydrogen bond donor(s) and 3 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 2-Amino-3-(trifluoromethyl)benzoate?
The CAS number of 2-Amino-3-(trifluoromethyl)benzoate is 313-12-2.
What is the molecular formula of 2-Amino-3-(trifluoromethyl)benzoate?
The molecular formula of 2-Amino-3-(trifluoromethyl)benzoate is C8H5F3NO2-.
What is the molecular weight of 2-Amino-3-(trifluoromethyl)benzoate?
The molecular weight of 2-Amino-3-(trifluoromethyl)benzoate is 204.03 g/mol.
Where can I buy 2-Amino-3-(trifluoromethyl)benzoate?
You can request a quote for 2-Amino-3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.