2-Phenyl-1,4-cyclohexadiene
TL;DR: 2-Phenyl-1,4-cyclohexadiene (CAS 13703-52-1) is a chemical compound with molecular formula C12H12 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-1,4-dien-1-ylbenzene
Also Known As: cyclohexa-1,4-dien-1-ylbenzene, 2-PHENYL-1,4-CYCLOHEXADIENE, 1,4-Cyclohexadienylbenzene, 1-phenyl-1,4-cyclohexadiene, 1-phenylcyclohexa-1,4-diene
| Molecular Formula | C12H12 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0939 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 13703-52-1 |
|---|---|
| SMILES | C1C=CCC(=C1)C2=CC=CC=C2 |
| InChIKey | CNALYQPYMGMRKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1,4-cyclohexadiene (CAS 13703-52-1), with molecular formula C12H12 and molecular weight 156.09 g/mol. IUPAC: cyclohexa-1,4-dien-1-ylbenzene.
Chemical Property Profile of 2-Phenyl-1,4-cyclohexadiene
Property Insights of 2-Phenyl-1,4-cyclohexadiene
The XLogP value of 3.3 indicates that 2-Phenyl-1,4-cyclohexadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Phenyl-1,4-cyclohexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,4-cyclohexadiene 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 2-Phenyl-1,4-cyclohexadiene?
The CAS number of 2-Phenyl-1,4-cyclohexadiene is 13703-52-1.
What is the molecular formula of 2-Phenyl-1,4-cyclohexadiene?
The molecular formula of 2-Phenyl-1,4-cyclohexadiene is C12H12.
What is the molecular weight of 2-Phenyl-1,4-cyclohexadiene?
The molecular weight of 2-Phenyl-1,4-cyclohexadiene is 156.09 g/mol.
Where can I buy 2-Phenyl-1,4-cyclohexadiene?
You can request a quote for 2-Phenyl-1,4-cyclohexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,4-cyclohexadiene?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,4-cyclohexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.