N-(2-Cyano-cyclohex-1-enyl)-acetamide
TL;DR: N-(2-Cyano-cyclohex-1-enyl)-acetamide (CAS 500896-58-2) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanocyclohexen-1-yl)acetamide
Also Known As: N-(2-Cyano-cyclohex-1-enyl)-acetamide, N-(2-Cyanocyclohex-1-en-1-yl)acetamide, N-(2-cyanocyclohexen-1-yl)acetamide, N-(2-cyanocyclohex-1-enyl)acetamide, Z-8602
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 500896-58-2 |
|---|---|
| SMILES | CC(=O)NC1=C(CCCC1)C#N |
| InChIKey | NJAAKBJNTCGTOC-UHFFFAOYSA-N |
Product Overview
N-(2-Cyano-cyclohex-1-enyl)-acetamide (CAS 500896-58-2), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: N-(2-cyanocyclohexen-1-yl)acetamide.
Chemical Property Profile of N-(2-Cyano-cyclohex-1-enyl)-acetamide
Property Insights of N-(2-Cyano-cyclohex-1-enyl)-acetamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Cyano-cyclohex-1-enyl)-acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(2-Cyano-cyclohex-1-enyl)-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Cyano-cyclohex-1-enyl)-acetamide 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 N-(2-Cyano-cyclohex-1-enyl)-acetamide?
The CAS number of N-(2-Cyano-cyclohex-1-enyl)-acetamide is 500896-58-2.
What is the molecular formula of N-(2-Cyano-cyclohex-1-enyl)-acetamide?
The molecular formula of N-(2-Cyano-cyclohex-1-enyl)-acetamide is C9H12N2O.
What is the molecular weight of N-(2-Cyano-cyclohex-1-enyl)-acetamide?
The molecular weight of N-(2-Cyano-cyclohex-1-enyl)-acetamide is 164.09 g/mol.
Where can I buy N-(2-Cyano-cyclohex-1-enyl)-acetamide?
You can request a quote for N-(2-Cyano-cyclohex-1-enyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyano-cyclohex-1-enyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyano-cyclohex-1-enyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.