Acetonitrile, 2-cyclohexylidene-
TL;DR: Acetonitrile, 2-cyclohexylidene- (CAS 4435-18-1) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylideneacetonitrile
Also Known As: 2-cyclohexylideneacetonitrile, Cyclohexylideneacetonitrile, Acetonitrile, cyclohexylidene-, Acetonitrile, 2-cyclohexylidene-, (cyclohexylidene)acetonitrile
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 4435-18-1 |
|---|---|
| SMILES | C1CCC(=CC#N)CC1 |
| InChIKey | VLRQRRQHXZCEDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonitrile, 2-cyclohexylidene- (CAS 4435-18-1), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2-cyclohexylideneacetonitrile.
Chemical Property Profile of Acetonitrile, 2-cyclohexylidene-
Property Insights of Acetonitrile, 2-cyclohexylidene-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, 2-cyclohexylidene-. With a topological polar surface area (TPSA) of 23.8 Ų, Acetonitrile, 2-cyclohexylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, 2-cyclohexylidene- 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 Acetonitrile, 2-cyclohexylidene-?
The CAS number of Acetonitrile, 2-cyclohexylidene- is 4435-18-1.
What is the molecular formula of Acetonitrile, 2-cyclohexylidene-?
The molecular formula of Acetonitrile, 2-cyclohexylidene- is C8H11N.
What is the molecular weight of Acetonitrile, 2-cyclohexylidene-?
The molecular weight of Acetonitrile, 2-cyclohexylidene- is 121.09 g/mol.
Where can I buy Acetonitrile, 2-cyclohexylidene-?
You can request a quote for Acetonitrile, 2-cyclohexylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, 2-cyclohexylidene-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, 2-cyclohexylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.