N-pentan-2-yl-4-(trifluoromethyl)benzamide
TL;DR: N-pentan-2-yl-4-(trifluoromethyl)benzamide (CAS 304458-53-5) is a chemical compound with molecular formula C13H16F3NO and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pentan-2-yl-4-(trifluoromethyl)benzamide
Also Known As: N-pentan-2-yl-4-(trifluoromethyl)benzamide, N-(1-methylbutyl)-4-(trifluoromethyl)benzamide, N-(pentan-2-yl)-4-(trifluoromethyl)benzamide, AO-854/12091293, N-(1-METHYL-BUTYL)-4-TRIFLUOROMETHYL-BENZAMIDE
| Molecular Formula | C13H16F3NO |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 3.6238 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.1184 |
| Heavy Atoms | 18 |
| Complexity | 397.69254 |
Chemical Identifiers
| CAS Number | 304458-53-5 |
|---|---|
| SMILES | CCCC(C)NC(=O)C1=CC=C(C=C1)C(F)(F)F |
Product Overview
N-pentan-2-yl-4-(trifluoromethyl)benzamide (CAS 304458-53-5), with molecular formula C13H16F3NO and molecular weight 259.12 g/mol. IUPAC: N-pentan-2-yl-4-(trifluoromethyl)benzamide.
Chemical Property Profile of N-pentan-2-yl-4-(trifluoromethyl)benzamide
Property Insights of N-pentan-2-yl-4-(trifluoromethyl)benzamide
The XLogP value of 3.6238 indicates that N-pentan-2-yl-4-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-pentan-2-yl-4-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-pentan-2-yl-4-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 1 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 N-pentan-2-yl-4-(trifluoromethyl)benzamide?
The CAS number of N-pentan-2-yl-4-(trifluoromethyl)benzamide is 304458-53-5.
What is the molecular formula of N-pentan-2-yl-4-(trifluoromethyl)benzamide?
The molecular formula of N-pentan-2-yl-4-(trifluoromethyl)benzamide is C13H16F3NO.
What is the molecular weight of N-pentan-2-yl-4-(trifluoromethyl)benzamide?
The molecular weight of N-pentan-2-yl-4-(trifluoromethyl)benzamide is 259.12 g/mol.
Where can I buy N-pentan-2-yl-4-(trifluoromethyl)benzamide?
You can request a quote for N-pentan-2-yl-4-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-pentan-2-yl-4-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-pentan-2-yl-4-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.