![3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide structure](/static/products/2994/2994-79-8.webp)
3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
TL;DR: 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide (CAS 2994-79-8) is a chemical compound with molecular formula C12H14F3NO and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
Also Known As: 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide, AB00103718-01
| Molecular Formula | C12H14F3NO |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.10275 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 2994-79-8 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC=CC=C1C(F)(F)F |
| InChIKey | MXUICWQECRAXGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide (CAS 2994-79-8), with molecular formula C12H14F3NO and molecular weight 245.10 g/mol. IUPAC: 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide.
Chemical Property Profile of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
Property Insights of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide. With a topological polar surface area (TPSA) of 29.1 Ų, 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide 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-methyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The CAS number of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide is 2994-79-8.
What is the molecular formula of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The molecular formula of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide is C12H14F3NO.
What is the molecular weight of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The molecular weight of 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide is 245.10 g/mol.
Where can I buy 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide?
You can request a quote for 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.