4'-Cyano-3'-(trifluoromethyl)acetanilide
TL;DR: 4'-Cyano-3'-(trifluoromethyl)acetanilide (CAS 138526-69-9) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
Also Known As: 4-Cyano-3-(trifluoromethyl)acetanilide, N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide, n-(4-cyano-3-(trifluoromethyl)phenyl)acetamide, Maybridge3_004822, Enzalutamide Impurity 49
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.53548 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 460.11243 |
Chemical Identifiers
| CAS Number | 138526-69-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F |
Product Overview
4'-Cyano-3'-(trifluoromethyl)acetanilide (CAS 138526-69-9), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 4'-Cyano-3'-(trifluoromethyl)acetanilide
Property Insights of 4'-Cyano-3'-(trifluoromethyl)acetanilide
The XLogP value of 2.53548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Cyano-3'-(trifluoromethyl)acetanilide. With a topological polar surface area (TPSA) of 52.89 Ų, 4'-Cyano-3'-(trifluoromethyl)acetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Cyano-3'-(trifluoromethyl)acetanilide has 1 hydrogen bond donor(s) and 2 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'-Cyano-3'-(trifluoromethyl)acetanilide?
The CAS number of 4'-Cyano-3'-(trifluoromethyl)acetanilide is 138526-69-9.
What is the molecular formula of 4'-Cyano-3'-(trifluoromethyl)acetanilide?
The molecular formula of 4'-Cyano-3'-(trifluoromethyl)acetanilide is C10H7F3N2O.
What is the molecular weight of 4'-Cyano-3'-(trifluoromethyl)acetanilide?
The molecular weight of 4'-Cyano-3'-(trifluoromethyl)acetanilide is 228.05 g/mol.
Where can I buy 4'-Cyano-3'-(trifluoromethyl)acetanilide?
You can request a quote for 4'-Cyano-3'-(trifluoromethyl)acetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Cyano-3'-(trifluoromethyl)acetanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-Cyano-3'-(trifluoromethyl)acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.