1-(4-Chlorophenyl)cyclohexanecarbonitrile
TL;DR: 1-(4-Chlorophenyl)cyclohexanecarbonitrile (CAS 64399-28-6) is a chemical compound with molecular formula C13H14ClN and molecular weight 219.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)cyclohexane-1-carbonitrile
Also Known As: 1-(4-Chlorophenyl)cyclohexanecarbonitrile, 1-(4-chlorophenyl)cyclohexane-1-carbonitrile, 7-Methoxyindole-3-carboxylic acid, KST-1B7095, 9866AB
Technical Specifications
| Molecular Formula | C13H14ClN |
| Molecular Weight | 219.08148 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08148 Da |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
| SMILES | C1CCC(CC1)(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | OSHOYPXOCQTDGJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)cyclohexanecarbonitrile
Property Insights of 1-(4-Chlorophenyl)cyclohexanecarbonitrile
The XLogP value of 4.2 indicates that 1-(4-Chlorophenyl)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-Chlorophenyl)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)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
What is the CAS number of 1-(4-Chlorophenyl)cyclohexanecarbonitrile?
The CAS number of 1-(4-Chlorophenyl)cyclohexanecarbonitrile is 64399-28-6.
What is the molecular formula of 1-(4-Chlorophenyl)cyclohexanecarbonitrile?
The molecular formula of 1-(4-Chlorophenyl)cyclohexanecarbonitrile is C13H14ClN.
What is the molecular weight of 1-(4-Chlorophenyl)cyclohexanecarbonitrile?
The molecular weight of 1-(4-Chlorophenyl)cyclohexanecarbonitrile is 219.08148 g/mol.
Where can I buy 1-(4-Chlorophenyl)cyclohexanecarbonitrile?
You can request a quote for 1-(4-Chlorophenyl)cyclohexanecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)cyclohexanecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.