1-(Chloromethyl)Cyclohexanecarbonitrile
TL;DR: 1-(Chloromethyl)Cyclohexanecarbonitrile (CAS 112905-95-0) is a chemical compound with molecular formula C8H12ClN and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)cyclohexane-1-carbonitrile
Also Known As: 1-(Chloromethyl)Cyclohexanecarbonitrile, 1-(chloromethyl)cyclohexane-1-carbonitrile, Cyclohexanecarbonitrile,1-(chloromethyl)-, 7-nitro-3,4-dihydroisoquinoline, 1-chloromethyl-cyclohexanecarbonitrile
| Molecular Formula | C8H12ClN |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 2.69928 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.06583 |
| Heavy Atoms | 10 |
| Complexity | 141.82681 |
Chemical Identifiers
| CAS Number | 112905-95-0 |
|---|---|
| SMILES | C1CCC(CC1)(CCl)C#N |
Product Overview
1-(Chloromethyl)Cyclohexanecarbonitrile (CAS 112905-95-0), with molecular formula C8H12ClN and molecular weight 157.07 g/mol. IUPAC: 1-(chloromethyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(Chloromethyl)Cyclohexanecarbonitrile
Property Insights of 1-(Chloromethyl)Cyclohexanecarbonitrile
The XLogP value of 2.69928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)Cyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 1-(Chloromethyl)Cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)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-(Chloromethyl)Cyclohexanecarbonitrile?
The CAS number of 1-(Chloromethyl)Cyclohexanecarbonitrile is 112905-95-0.
What is the molecular formula of 1-(Chloromethyl)Cyclohexanecarbonitrile?
The molecular formula of 1-(Chloromethyl)Cyclohexanecarbonitrile is C8H12ClN.
What is the molecular weight of 1-(Chloromethyl)Cyclohexanecarbonitrile?
The molecular weight of 1-(Chloromethyl)Cyclohexanecarbonitrile is 157.07 g/mol.
Where can I buy 1-(Chloromethyl)Cyclohexanecarbonitrile?
You can request a quote for 1-(Chloromethyl)Cyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)Cyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)Cyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.