1-Cyclohexen, 1-cyano-4-isopropenyl-
TL;DR: 1-Cyclohexen, 1-cyano-4-isopropenyl- (CAS 60188-94-5) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-1-en-2-ylcyclohexene-1-carbonitrile
Also Known As: 1-Cyclohexen, 1-cyano-4-isopropenyl-, 4-prop-1-en-2-ylcyclohexene-1-carbonitrile, 4-(1-Methylethenyl)-1-cyclohexene-1-carbonitrile, 4-Isopropenyl-1-cyclohexene-1-carbonitrile #, 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonitrile
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 60188-94-5 |
|---|---|
| SMILES | CC(=C)C1CCC(=CC1)C#N |
| InChIKey | NSXIBBXQRKZDTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexen, 1-cyano-4-isopropenyl- (CAS 60188-94-5), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: 4-prop-1-en-2-ylcyclohexene-1-carbonitrile.
Chemical Property Profile of 1-Cyclohexen, 1-cyano-4-isopropenyl-
Property Insights of 1-Cyclohexen, 1-cyano-4-isopropenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexen, 1-cyano-4-isopropenyl-. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Cyclohexen, 1-cyano-4-isopropenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexen, 1-cyano-4-isopropenyl- 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-Cyclohexen, 1-cyano-4-isopropenyl-?
The CAS number of 1-Cyclohexen, 1-cyano-4-isopropenyl- is 60188-94-5.
What is the molecular formula of 1-Cyclohexen, 1-cyano-4-isopropenyl-?
The molecular formula of 1-Cyclohexen, 1-cyano-4-isopropenyl- is C10H13N.
What is the molecular weight of 1-Cyclohexen, 1-cyano-4-isopropenyl-?
The molecular weight of 1-Cyclohexen, 1-cyano-4-isopropenyl- is 147.10 g/mol.
Where can I buy 1-Cyclohexen, 1-cyano-4-isopropenyl-?
You can request a quote for 1-Cyclohexen, 1-cyano-4-isopropenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexen, 1-cyano-4-isopropenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexen, 1-cyano-4-isopropenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.