1-Phenylcyclohexene
TL;DR: 1-Phenylcyclohexene (CAS 771-98-2) 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.
cyclohexen-1-ylbenzene
Also Known As: 1-Phenyl-1-cyclohexene, 1-Phenylcyclohexene, Cyclohexen-1-ylbenzene, Phenylcyclohexene, Cyclohexenylbenzene
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 4.5 |
| 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 | 161.0 |
Chemical Identifiers
| CAS Number | 771-98-2 |
|---|---|
| SMILES | C1CCC(=CC1)C2=CC=CC=C2 |
| InChIKey | WCMSFBRREKZZFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylcyclohexene (CAS 771-98-2), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: cyclohexen-1-ylbenzene.
Chemical Property Profile of 1-Phenylcyclohexene
Property Insights of 1-Phenylcyclohexene
The XLogP value of 4.5 indicates that 1-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, 1-Phenylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Phenylcyclohexene?
The CAS number of 1-Phenylcyclohexene is 771-98-2.
What is the molecular formula of 1-Phenylcyclohexene?
The molecular formula of 1-Phenylcyclohexene is C12H14.
What is the molecular weight of 1-Phenylcyclohexene?
The molecular weight of 1-Phenylcyclohexene is 158.11 g/mol.
Where can I buy 1-Phenylcyclohexene?
You can request a quote for 1-Phenylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.