1-(4-Methylphenyl)cyclohexanecarbonitrile
TL;DR: 1-(4-Methylphenyl)cyclohexanecarbonitrile (CAS 1206-13-9) is a chemical compound with molecular formula C14H17N and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)cyclohexane-1-carbonitrile
Also Known As: 1-(p-Tolyl)cyclohexanecarbonitrile, 1-(4-Methylphenyl)cyclohexanecarbonitrile, Hydroquinone diacetate, 1-(4-methylphenyl)cyclohexane-1-carbonitrile, 1-p-tolylcyclohexanecarbonitrile
| Molecular Formula | C14H17N |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.1361 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 1206-13-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(CCCCC2)C#N |
| InChIKey | JFUXEEYLCATFIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methylphenyl)cyclohexanecarbonitrile (CAS 1206-13-9), with molecular formula C14H17N and molecular weight 199.14 g/mol. IUPAC: 1-(4-methylphenyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(4-Methylphenyl)cyclohexanecarbonitrile
Property Insights of 1-(4-Methylphenyl)cyclohexanecarbonitrile
The XLogP value of 3.9 indicates that 1-(4-Methylphenyl)cyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(4-Methylphenyl)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)cyclohexanecarbonitrile 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-(4-Methylphenyl)cyclohexanecarbonitrile?
The CAS number of 1-(4-Methylphenyl)cyclohexanecarbonitrile is 1206-13-9.
What is the molecular formula of 1-(4-Methylphenyl)cyclohexanecarbonitrile?
The molecular formula of 1-(4-Methylphenyl)cyclohexanecarbonitrile is C14H17N.
What is the molecular weight of 1-(4-Methylphenyl)cyclohexanecarbonitrile?
The molecular weight of 1-(4-Methylphenyl)cyclohexanecarbonitrile is 199.14 g/mol.
Where can I buy 1-(4-Methylphenyl)cyclohexanecarbonitrile?
You can request a quote for 1-(4-Methylphenyl)cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.