3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-
TL;DR: 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- (CAS 68084-05-9) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
Also Known As: 2- cyclohex-3-ene-1-carbonitrile, 2-(4-Methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile, 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-pentenyl)-, 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-, 2-(4'-Methyl-3'-pentenyl)-3-cyclohexene-1-carbonitrile
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 68084-05-9 |
|---|---|
| SMILES | CC(=CCCC1C=CCCC1C#N)C |
| InChIKey | ZJTPYSDRFRXYMI-UHFFFAOYSA-N |
Product Overview
3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- (CAS 68084-05-9), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 2-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile.
Chemical Property Profile of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-
Property Insights of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-
The XLogP value of 3.8 indicates that 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- 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-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- 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-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-?
The CAS number of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- is 68084-05-9.
What is the molecular formula of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-?
The molecular formula of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- is C13H19N.
What is the molecular weight of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-?
The molecular weight of 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- is 189.15 g/mol.
Where can I buy 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-?
You can request a quote for 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carbonitrile, 2-(4-methyl-3-penten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.