4-Phenylcyclohexene
TL;DR: 4-Phenylcyclohexene (CAS 4994-16-5) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohex-3-en-1-ylbenzene
Also Known As: 4-Phenyl-1-cyclohexene, 4-PHENYLCYCLOHEXENE, 3-Cyclohexen-1-ylbenzene, cyclohex-3-en-1-ylbenzene, Benzene, 3-cyclohexen-1-yl-
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 4994-16-5 |
|---|---|
| SMILES | C1CC(CC=C1)C2=CC=CC=C2 |
| InChIKey | XWCWNUSFQVJNDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenylcyclohexene (CAS 4994-16-5), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: cyclohex-3-en-1-ylbenzene.
Chemical Property Profile of 4-Phenylcyclohexene
Property Insights of 4-Phenylcyclohexene
The XLogP value of 3.7 indicates that 4-Phenylcyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Phenylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylcyclohexene has 0 hydrogen bond donor(s) and 0 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 4-Phenylcyclohexene?
The CAS number of 4-Phenylcyclohexene is 4994-16-5.
What is the molecular formula of 4-Phenylcyclohexene?
The molecular formula of 4-Phenylcyclohexene is C12H14.
What is the molecular weight of 4-Phenylcyclohexene?
The molecular weight of 4-Phenylcyclohexene is 158.11 g/mol.
Where can I buy 4-Phenylcyclohexene?
You can request a quote for 4-Phenylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.