3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
TL;DR: 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile (CAS 53586-93-9) is a chemical compound with molecular formula C20H19NO and molecular weight 289.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
Also Known As: 3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile, 3-Benzyl-2-oxo-3-phenylcyclohexanecarbonitrile, 3-benzyl-2-oxo-3-phenyl-1-cyclohexanecarbonitrile
| Molecular Formula | C20H19NO |
|---|---|
| Molecular Weight | 289.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.14667 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 53586-93-9 |
|---|---|
| SMILES | C1CC(C(=O)C(C1)(CC2=CC=CC=C2)C3=CC=CC=C3)C#N |
| InChIKey | ZXSFYIXLJPDABS-UHFFFAOYSA-N |
Product Overview
3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile (CAS 53586-93-9), with molecular formula C20H19NO and molecular weight 289.15 g/mol. IUPAC: 3-benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile.
Chemical Property Profile of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
Property Insights of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
The XLogP value of 4.4 indicates that 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile 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-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile?
The CAS number of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile is 53586-93-9.
What is the molecular formula of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile?
The molecular formula of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile is C20H19NO.
What is the molecular weight of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile?
The molecular weight of 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile is 289.15 g/mol.
Where can I buy 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile?
You can request a quote for 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-oxo-3-phenylcyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.