4-Methyl-3-cyclohexene-1-carbonitrile
TL;DR: 4-Methyl-3-cyclohexene-1-carbonitrile (CAS 6824-60-8) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylcyclohex-3-ene-1-carbonitrile
Also Known As: 4-Methyl-3-cyclohexene-1-carbonitrile, 4-methylcyclohex-3-ene-1-carbonitrile, 4-CYANO-1-METHYLCYCLOHEXENE, 3-Cyclohexene-1-carbonitrile, 4-methyl-, 4-Methyl-1,2,3,6-tetrahydrobenzonitrile
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 6824-60-8 |
|---|---|
| SMILES | CC1=CCC(CC1)C#N |
| InChIKey | WJCYDDFWVABXMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-3-cyclohexene-1-carbonitrile (CAS 6824-60-8), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 4-methylcyclohex-3-ene-1-carbonitrile.
Chemical Property Profile of 4-Methyl-3-cyclohexene-1-carbonitrile
Property Insights of 4-Methyl-3-cyclohexene-1-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-cyclohexene-1-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Methyl-3-cyclohexene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-cyclohexene-1-carbonitrile 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 4-Methyl-3-cyclohexene-1-carbonitrile?
The CAS number of 4-Methyl-3-cyclohexene-1-carbonitrile is 6824-60-8.
What is the molecular formula of 4-Methyl-3-cyclohexene-1-carbonitrile?
The molecular formula of 4-Methyl-3-cyclohexene-1-carbonitrile is C8H11N.
What is the molecular weight of 4-Methyl-3-cyclohexene-1-carbonitrile?
The molecular weight of 4-Methyl-3-cyclohexene-1-carbonitrile is 121.09 g/mol.
Where can I buy 4-Methyl-3-cyclohexene-1-carbonitrile?
You can request a quote for 4-Methyl-3-cyclohexene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-cyclohexene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-cyclohexene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.