3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-
TL;DR: 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- (CAS 66848-41-7) 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.
2,4-dimethylcyclohex-3-ene-1-carbonitrile
Also Known As: 2,4-Dimethylcyclohex-3-ene-1-carbonitrile, 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-, 2,4-Dimethyl-3-cyclohexene-1-carbonitrile, , CID106698, 2,4-Dimethyl-3-cyclohexene-1-carbonitrile, 2,4-Dimethylcyclohex-3-ene-1-carbonitrile, 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-, 66848-41-7, EINECS 266-498-9
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 66848-41-7 |
|---|---|
| SMILES | CC1C=C(CCC1C#N)C |
| InChIKey | NJHNAANHFUISPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- (CAS 66848-41-7), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 2,4-dimethylcyclohex-3-ene-1-carbonitrile.
Chemical Property Profile of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-
Property Insights of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- 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-dimethyl-?
The CAS number of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- is 66848-41-7.
What is the molecular formula of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-?
The molecular formula of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- is C9H13N.
What is the molecular weight of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-?
The molecular weight of 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- is 135.10 g/mol.
Where can I buy 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl-?
You can request a quote for 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- 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-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carbonitrile, 2,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.