N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide
TL;DR: N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide (CAS 866153-61-9) is a chemical compound with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide
Also Known As: N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide, N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzenecarboxamide
| Molecular Formula | C11H9F3N2O2 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.88108 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0616 |
| Heavy Atoms | 18 |
| Complexity | 448.84152 |
Chemical Identifiers
| CAS Number | 866153-61-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC#N)OCC(F)(F)F |
Product Overview
N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide (CAS 866153-61-9), with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol. IUPAC: N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide.
Chemical Property Profile of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide
Property Insights of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide
The XLogP value of 1.88108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide has 1 hydrogen bond donor(s) and 3 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-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The CAS number of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide is 866153-61-9.
What is the molecular formula of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The molecular formula of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide is C11H9F3N2O2.
What is the molecular weight of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
The molecular weight of N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide is 258.06 g/mol.
Where can I buy N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
You can request a quote for N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-4-(2,2,2-trifluoroethoxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.