Methyl 3-amino-5-(trifluoromethyl)benzoate
TL;DR: Methyl 3-amino-5-(trifluoromethyl)benzoate (CAS 22235-25-2) is a chemical compound with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-(trifluoromethyl)benzoate
Also Known As: methyl 3-amino-5-(trifluoromethyl)benzoate, Methyl 3-Amino-5-trifluoromethylbenzoate, methyl 3-amino-5-trifluoromethyl-benzoate, 3-Amino-5-trifluoromethyl-benzoic acid methyl ester, Methyl 3-trifluoromethyl-5-aminobenzoate
| Molecular Formula | C9H8F3NO2 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.0742 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05072 |
| Heavy Atoms | 15 |
| Complexity | 387.4341 |
Chemical Identifiers
| CAS Number | 22235-25-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N)C(F)(F)F |
Product Overview
Methyl 3-amino-5-(trifluoromethyl)benzoate (CAS 22235-25-2), with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol. IUPAC: methyl 3-amino-5-(trifluoromethyl)benzoate.
Chemical Property Profile of Methyl 3-amino-5-(trifluoromethyl)benzoate
Property Insights of Methyl 3-amino-5-(trifluoromethyl)benzoate
The XLogP value of 2.0742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-5-(trifluoromethyl)benzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-5-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-5-(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 Methyl 3-amino-5-(trifluoromethyl)benzoate?
The CAS number of Methyl 3-amino-5-(trifluoromethyl)benzoate is 22235-25-2.
What is the molecular formula of Methyl 3-amino-5-(trifluoromethyl)benzoate?
The molecular formula of Methyl 3-amino-5-(trifluoromethyl)benzoate is C9H8F3NO2.
What is the molecular weight of Methyl 3-amino-5-(trifluoromethyl)benzoate?
The molecular weight of Methyl 3-amino-5-(trifluoromethyl)benzoate is 219.05 g/mol.
Where can I buy Methyl 3-amino-5-(trifluoromethyl)benzoate?
You can request a quote for Methyl 3-amino-5-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-5-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-5-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.