2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile
TL;DR: 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile (CAS 610-60-6) is a chemical compound with molecular formula C17H21N and molecular weight 239.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexen-1-yl)-2-phenylpentanenitrile
Also Known As: 2-(cyclohex-1-en-1-yl)-2-phenylpentanenitrile, 2-(cyclohexen-1-yl)-2-phenylpentanenitrile, Benzeneacetonitrile, a-1-cyclohexen-1-yl-a-propyl-
| Molecular Formula | C17H21N |
|---|---|
| Molecular Weight | 239.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.1674 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 610-60-6 |
|---|---|
| SMILES | CCCC(C#N)(C1=CCCCC1)C2=CC=CC=C2 |
| InChIKey | IIUAGEDXDIXUEX-UHFFFAOYSA-N |
Product Overview
2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile (CAS 610-60-6), with molecular formula C17H21N and molecular weight 239.17 g/mol. IUPAC: 2-(cyclohexen-1-yl)-2-phenylpentanenitrile.
Chemical Property Profile of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile
Property Insights of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile
The XLogP value of 4.6 indicates that 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile 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 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile?
The CAS number of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile is 610-60-6.
What is the molecular formula of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile?
The molecular formula of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile is C17H21N.
What is the molecular weight of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile?
The molecular weight of 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile is 239.17 g/mol.
Where can I buy 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile?
You can request a quote for 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohex-1-en-1-yl)-2-phenylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.