(2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile
TL;DR: (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile (CAS 22031-58-9) is a chemical compound with molecular formula C9H11N and molecular weight 133.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(cyclohexen-1-yl)prop-2-enenitrile
Also Known As: 1-Cyclohexene-1-acrylonitrile, (E)-3-(cyclohexen-1-yl)prop-2-enenitrile, 3-(cyclohex-1-en-1-yl)prop-2-enenitrile, J1.519.370K, (2E)-3-(CYCLOHEX-1-EN-1-YL)PROP-2-ENENITRILE
| Molecular Formula | C9H11N |
|---|---|
| Molecular Weight | 133.09 g/mol |
| LogP | 2.56658 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.08914 |
| Heavy Atoms | 10 |
| Complexity | 193.26404 |
Chemical Identifiers
| CAS Number | 22031-58-9 |
|---|---|
| SMILES | C1CCC(=CC1)/C=C/C#N |
Product Overview
(2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile (CAS 22031-58-9), with molecular formula C9H11N and molecular weight 133.09 g/mol. IUPAC: (E)-3-(cyclohexen-1-yl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile
Property Insights of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile
The XLogP value of 2.56658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(Cyclohex-1-EN-1-YL)prop-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 (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile?
The CAS number of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile is 22031-58-9.
What is the molecular formula of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile?
The molecular formula of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile is C9H11N.
What is the molecular weight of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile?
The molecular weight of (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile is 133.09 g/mol.
Where can I buy (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile?
You can request a quote for (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.