4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-
TL;DR: 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- (CAS 101564-47-0) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-cyanoethyl)-3,4-dimethylcyclohex-3-ene-1-carbonitrile
Also Known As: 5-(2-Cyanoethyl)-1,2-dimethyl-4-cyclohexenenitrile, 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-, 6-Cyano-3,4-dimethyl-3-cyclohexene-1-propionitrile, 4-09-00-02945 (Beilstein Handbook Reference), 6-(2-cyanoethyl)-3,4-dimethylcyclohex-3-ene-1-carbonitrile
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 3.17636 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 314.19388 |
Chemical Identifiers
| CAS Number | 101564-47-0 |
|---|---|
| SMILES | CC1=C(CC(C(C1)CCC#N)C#N)C |
Product Overview
4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- (CAS 101564-47-0), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 6-(2-cyanoethyl)-3,4-dimethylcyclohex-3-ene-1-carbonitrile.
Chemical Property Profile of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-
Property Insights of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-
The XLogP value of 3.17636 indicates that 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- has 0 hydrogen bond donor(s) and 2 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-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-?
The CAS number of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- is 101564-47-0.
What is the molecular formula of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-?
The molecular formula of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- is C12H16N2.
What is the molecular weight of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-?
The molecular weight of 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- is 188.13 g/mol.
Where can I buy 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-?
You can request a quote for 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexenenitrile, 5-(2-cyanoethyl)-1,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.