α-环己亚基苯乙腈
TL;DR: α-环己亚基苯乙腈 (CAS 10461-98-0) is a chemical compound with molecular formula C14H15N and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-环己亚基苯乙腈
2-cyclohexylidene-2-phenylacetonitrile
Also Known As: 2-cyclohexylidene-2-phenylacetonitrile, Peonile, peony acetonitrile, Benzeneacetonitrile, a-cyclohexylidene-, cyclohexylidene(phenyl)acetonitrile
| Molecular Formula | C14H15N |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.12045 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 10461-98-0 |
|---|---|
| SMILES | C1CCC(=C(C#N)C2=CC=CC=C2)CC1 |
| InChIKey | ZHOOOLQOWQVYOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-环己亚基苯乙腈 (CAS 10461-98-0), with molecular formula C14H15N and molecular weight 197.12 g/mol. IUPAC: 2-cyclohexylidene-2-phenylacetonitrile.
Chemical Property Profile of α-环己亚基苯乙腈
Property Insights of α-环己亚基苯乙腈
The XLogP value of 3.6 indicates that α-环己亚基苯乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, α-环己亚基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-环己亚基苯乙腈 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 α-环己亚基苯乙腈?
The CAS number of α-环己亚基苯乙腈 is 10461-98-0.
What is the molecular formula of α-环己亚基苯乙腈?
The molecular formula of α-环己亚基苯乙腈 is C14H15N.
What is the molecular weight of α-环己亚基苯乙腈?
The molecular weight of α-环己亚基苯乙腈 is 197.12 g/mol.
Where can I buy α-环己亚基苯乙腈?
You can request a quote for α-环己亚基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-环己亚基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for α-环己亚基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.