4-(Methylamino)-3-(trifluoromethyl)benzoic acid
TL;DR: 4-(Methylamino)-3-(trifluoromethyl)benzoic acid (CAS 153304-64-4) 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.
4-(methylamino)-3-(trifluoromethyl)benzoic acid
Also Known As: 4-Nitrophenylmethylketone, 4-methylamino-3-trifluoromethylbenzoic Acid, 4-(methylamino)-3-(trifluoromethyl)benzoic acid, 4-Methylamino-3-trifluoromethyl-benzoic acid
| Molecular Formula | C9H8F3NO2 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05072 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 153304-64-4 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)C(=O)O)C(F)(F)F |
| InChIKey | HKPVZBOEPRVLTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylamino)-3-(trifluoromethyl)benzoic acid (CAS 153304-64-4), with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol. IUPAC: 4-(methylamino)-3-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid
Property Insights of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylamino)-3-(trifluoromethyl)benzoic acid. With a topological polar surface area (TPSA) of 49.3 Ų, 4-(Methylamino)-3-(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylamino)-3-(trifluoromethyl)benzoic acid has 2 hydrogen bond donor(s) and 6 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 4-(Methylamino)-3-(trifluoromethyl)benzoic acid?
The CAS number of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid is 153304-64-4.
What is the molecular formula of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid?
The molecular formula of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid is C9H8F3NO2.
What is the molecular weight of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid?
The molecular weight of 4-(Methylamino)-3-(trifluoromethyl)benzoic acid is 219.05 g/mol.
Where can I buy 4-(Methylamino)-3-(trifluoromethyl)benzoic acid?
You can request a quote for 4-(Methylamino)-3-(trifluoromethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylamino)-3-(trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylamino)-3-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.