3-Cyclohexylprop-2-enenitrile
TL;DR: 3-Cyclohexylprop-2-enenitrile (CAS 6050-00-6) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexylprop-2-enenitrile
Also Known As: 3-cyclohexylprop-2-enenitrile, 3-cyclohexane-2-propenenitrile
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 6050-00-6 |
|---|---|
| SMILES | C1CCC(CC1)C=CC#N |
| InChIKey | VEBCSALPNMISTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexylprop-2-enenitrile (CAS 6050-00-6), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 3-cyclohexylprop-2-enenitrile.
Chemical Property Profile of 3-Cyclohexylprop-2-enenitrile
Property Insights of 3-Cyclohexylprop-2-enenitrile
The XLogP value of 3.0 indicates that 3-Cyclohexylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Cyclohexylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexylprop-2-enenitrile 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 3-Cyclohexylprop-2-enenitrile?
The CAS number of 3-Cyclohexylprop-2-enenitrile is 6050-00-6.
What is the molecular formula of 3-Cyclohexylprop-2-enenitrile?
The molecular formula of 3-Cyclohexylprop-2-enenitrile is C9H13N.
What is the molecular weight of 3-Cyclohexylprop-2-enenitrile?
The molecular weight of 3-Cyclohexylprop-2-enenitrile is 135.10 g/mol.
Where can I buy 3-Cyclohexylprop-2-enenitrile?
You can request a quote for 3-Cyclohexylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.