1-Phenylcyclohexanecarbonitrile
TL;DR: 1-Phenylcyclohexanecarbonitrile (CAS 2201-23-2) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylcyclohexane-1-carbonitrile
Also Known As: 1-Phenylcyclohexanecarbonitrile, 1-Phenyl-1-cyclohexanecarbonitrile, 1-phenylcyclohexane-1-carbonitrile, cyanophenylcyclohexane, Cyclohexanecarbonitrile, 1-phenyl-
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 2201-23-2 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)C2=CC=CC=C2 |
| InChIKey | AUXIEQKHXAYAHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylcyclohexanecarbonitrile (CAS 2201-23-2), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 1-phenylcyclohexane-1-carbonitrile.
Chemical Property Profile of 1-Phenylcyclohexanecarbonitrile
Property Insights of 1-Phenylcyclohexanecarbonitrile
The XLogP value of 3.5 indicates that 1-Phenylcyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Phenylcyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylcyclohexanecarbonitrile has 0 hydrogen bond donor(s) and 1 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 1-Phenylcyclohexanecarbonitrile?
The CAS number of 1-Phenylcyclohexanecarbonitrile is 2201-23-2.
What is the molecular formula of 1-Phenylcyclohexanecarbonitrile?
The molecular formula of 1-Phenylcyclohexanecarbonitrile is C13H15N.
What is the molecular weight of 1-Phenylcyclohexanecarbonitrile?
The molecular weight of 1-Phenylcyclohexanecarbonitrile is 185.12 g/mol.
Where can I buy 1-Phenylcyclohexanecarbonitrile?
You can request a quote for 1-Phenylcyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylcyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylcyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.