3'-Trifluoromethyl-o-toluanilide
TL;DR: 3'-Trifluoromethyl-o-toluanilide (CAS 1939-22-6) is a chemical compound with molecular formula C15H12F3NO and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Also Known As: 3'-Trifluoromethyl-o-toluanilide, 2-Methyl-N-[3-(trifluoromethyl)phenyl]benzamide, 3'-(Trifluoromethyl)-2-toluanilide, 3/'-Trifluoromethyl-o-toluanilide, 3-trifluoromethyl-o-toluanilide
| Molecular Formula | C15H12F3NO |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0871 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 1939-22-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | VNBKPVJBSIXIJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Trifluoromethyl-o-toluanilide (CAS 1939-22-6), with molecular formula C15H12F3NO and molecular weight 279.09 g/mol. IUPAC: 2-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
Chemical Property Profile of 3'-Trifluoromethyl-o-toluanilide
Property Insights of 3'-Trifluoromethyl-o-toluanilide
The XLogP value of 3.8 indicates that 3'-Trifluoromethyl-o-toluanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3'-Trifluoromethyl-o-toluanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Trifluoromethyl-o-toluanilide has 1 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 3'-Trifluoromethyl-o-toluanilide?
The CAS number of 3'-Trifluoromethyl-o-toluanilide is 1939-22-6.
What is the molecular formula of 3'-Trifluoromethyl-o-toluanilide?
The molecular formula of 3'-Trifluoromethyl-o-toluanilide is C15H12F3NO.
What is the molecular weight of 3'-Trifluoromethyl-o-toluanilide?
The molecular weight of 3'-Trifluoromethyl-o-toluanilide is 279.09 g/mol.
Where can I buy 3'-Trifluoromethyl-o-toluanilide?
You can request a quote for 3'-Trifluoromethyl-o-toluanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Trifluoromethyl-o-toluanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-Trifluoromethyl-o-toluanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.