3-(2-Oxo-1-phenylcyclohexyl)propanenitrile
TL;DR: 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile (CAS 32450-25-2) is a chemical compound with molecular formula C15H17NO and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-1-phenylcyclohexyl)propanenitrile
Also Known As: 3-(2-oxo-1-phenylcyclohexyl)propanenitrile, 2-phenyl-2-(2-cyanoethyl)cyclohexanone, Cyclohexanepropanenitrile,2-oxo-1-phenyl-, (+-)-3-(2-Oxo-1-phenyl-cyclohexyl)-propionsaeure-nitril
| Molecular Formula | C15H17NO |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.13101 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 32450-25-2 |
|---|---|
| SMILES | C1CCC(C(=O)C1)(CCC#N)C2=CC=CC=C2 |
| InChIKey | ULQSBYHOJARFRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Oxo-1-phenylcyclohexyl)propanenitrile (CAS 32450-25-2), with molecular formula C15H17NO and molecular weight 227.13 g/mol. IUPAC: 3-(2-oxo-1-phenylcyclohexyl)propanenitrile.
Chemical Property Profile of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile
Property Insights of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile has 0 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 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile?
The CAS number of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile is 32450-25-2.
What is the molecular formula of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile?
The molecular formula of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile is C15H17NO.
What is the molecular weight of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile?
The molecular weight of 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile is 227.13 g/mol.
Where can I buy 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile?
You can request a quote for 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxo-1-phenylcyclohexyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.