Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-
TL;DR: Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- (CAS 5009-07-4) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyano-1-phenylpropyl)acetamide
Also Known As: N-(1-cyano-1-phenylpropyl)acetamide, N-(alpha-Cyano-alpha-ethylbenzyl)acetamide, Phenyl-2 acetylamino-2 butanenitrile, Butyronitrile, 2-acetylamino-2-phenyl-, Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 5009-07-4 |
|---|---|
| SMILES | CCC(C#N)(C1=CC=CC=C1)NC(=O)C |
| InChIKey | XXJOYBGWMQMEQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- (CAS 5009-07-4), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: N-(1-cyano-1-phenylpropyl)acetamide.
Chemical Property Profile of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-
Property Insights of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-. With a topological polar surface area (TPSA) of 52.9 Ų, Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- 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 Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-?
The CAS number of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- is 5009-07-4.
What is the molecular formula of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-?
The molecular formula of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- is C12H14N2O.
What is the molecular weight of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-?
The molecular weight of Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- is 202.11 g/mol.
Where can I buy Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-?
You can request a quote for Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.