Hexa-1,5-dien-2-ylbenzene
TL;DR: Hexa-1,5-dien-2-ylbenzene (CAS 97805-54-4) 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.
hexa-1,5-dien-2-ylbenzene
Also Known As: hexa-1,5-dien-2-ylbenzene, 2-phenyl-1,5-hexadiene, 2-phenyl-hexa-1,5-diene, (hexa-1,5-dien-2-yl)benzene, (1-Methylene-4-pentenyl)benzene
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 97805-54-4 |
|---|---|
| SMILES | C=CCCC(=C)C1=CC=CC=C1 |
| InChIKey | RXHRTEWULBWTBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexa-1,5-dien-2-ylbenzene (CAS 97805-54-4), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: hexa-1,5-dien-2-ylbenzene.
Chemical Property Profile of Hexa-1,5-dien-2-ylbenzene
Property Insights of Hexa-1,5-dien-2-ylbenzene
The XLogP value of 4.3 indicates that Hexa-1,5-dien-2-ylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexa-1,5-dien-2-ylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-1,5-dien-2-ylbenzene 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 Hexa-1,5-dien-2-ylbenzene?
The CAS number of Hexa-1,5-dien-2-ylbenzene is 97805-54-4.
What is the molecular formula of Hexa-1,5-dien-2-ylbenzene?
The molecular formula of Hexa-1,5-dien-2-ylbenzene is C12H14.
What is the molecular weight of Hexa-1,5-dien-2-ylbenzene?
The molecular weight of Hexa-1,5-dien-2-ylbenzene is 158.11 g/mol.
Where can I buy Hexa-1,5-dien-2-ylbenzene?
You can request a quote for Hexa-1,5-dien-2-ylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa-1,5-dien-2-ylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Hexa-1,5-dien-2-ylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.