Benzene, 1,2-hexadienyl-
TL;DR: Benzene, 1,2-hexadienyl- (CAS 13633-27-7) 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-1,2-dienylbenzene
Also Known As: 1,2-Hexadienylbenzene, hexa-1,2-dienylbenzene, 1-propyl-3-phenylallene, Benzene, 1,2-hexadienyl-, 1-Phenyl-hexa-1,2-diene
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 13633-27-7 |
|---|---|
| SMILES | CCCC=C=CC1=CC=CC=C1 |
| InChIKey | MSIPDVCLKKSQNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2-hexadienyl- (CAS 13633-27-7), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: hexa-1,2-dienylbenzene.
Chemical Property Profile of Benzene, 1,2-hexadienyl-
Property Insights of Benzene, 1,2-hexadienyl-
The XLogP value of 3.5 indicates that Benzene, 1,2-hexadienyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,2-hexadienyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2-hexadienyl- 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 Benzene, 1,2-hexadienyl-?
The CAS number of Benzene, 1,2-hexadienyl- is 13633-27-7.
What is the molecular formula of Benzene, 1,2-hexadienyl-?
The molecular formula of Benzene, 1,2-hexadienyl- is C12H14.
What is the molecular weight of Benzene, 1,2-hexadienyl-?
The molecular weight of Benzene, 1,2-hexadienyl- is 158.11 g/mol.
Where can I buy Benzene, 1,2-hexadienyl-?
You can request a quote for Benzene, 1,2-hexadienyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2-hexadienyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2-hexadienyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.