Cyclohexaneacrylonitrile, (E)-
TL;DR: Cyclohexaneacrylonitrile, (E)- (CAS 22031-57-8) 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.
(E)-3-cyclohexylprop-2-enenitrile
Also Known As: Cyclohexaneacrylonitrile, 3-Cyclohexylacrylonitrile, Cyclohexaneacrylonitrile, (E)-, (E)-Cyclohexaneacrylonitrile, 3-cyclohexylprop-2-enenitrile
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.64648 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 146.60143 |
Chemical Identifiers
| CAS Number | 22031-57-8 |
|---|---|
| SMILES | C1CCC(CC1)/C=C/C#N |
Product Overview
Cyclohexaneacrylonitrile, (E)- (CAS 22031-57-8), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: (E)-3-cyclohexylprop-2-enenitrile.
Chemical Property Profile of Cyclohexaneacrylonitrile, (E)-
Property Insights of Cyclohexaneacrylonitrile, (E)-
The XLogP value of 2.64648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacrylonitrile, (E)-. With a topological polar surface area (TPSA) of 23.79 Ų, Cyclohexaneacrylonitrile, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacrylonitrile, (E)- 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 Cyclohexaneacrylonitrile, (E)-?
The CAS number of Cyclohexaneacrylonitrile, (E)- is 22031-57-8.
What is the molecular formula of Cyclohexaneacrylonitrile, (E)-?
The molecular formula of Cyclohexaneacrylonitrile, (E)- is C9H13N.
What is the molecular weight of Cyclohexaneacrylonitrile, (E)-?
The molecular weight of Cyclohexaneacrylonitrile, (E)- is 135.10 g/mol.
Where can I buy Cyclohexaneacrylonitrile, (E)-?
You can request a quote for Cyclohexaneacrylonitrile, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacrylonitrile, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacrylonitrile, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.