1,6-Heptadiene, 4-phenyl-
TL;DR: 1,6-Heptadiene, 4-phenyl- (CAS 13064-21-6) is a chemical compound with molecular formula C13H16 and molecular weight 172.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hepta-1,6-dien-4-ylbenzene
Also Known As: Diallylphenylmethane, alpha,alpha-Diallyltoluene, 4-Phenyl-1,6-heptadiene, hepta-1,6-dien-4-ylbenzene, 1,6-HEPTADIENE, 4-PHENYL-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16 |
| Molecular Weight | 172.1252 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.1252 Da |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
| SMILES | C=CCC(CC=C)C1=CC=CC=C1 |
| InChIKey | HWGAVSSONJYSGW-UHFFFAOYSA-N |
Chemical Property Profile of 1,6-Heptadiene, 4-phenyl-
Property Insights of 1,6-Heptadiene, 4-phenyl-
The XLogP value of 4.2 indicates that 1,6-Heptadiene, 4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,6-Heptadiene, 4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Heptadiene, 4-phenyl- 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
What is the CAS number of 1,6-Heptadiene, 4-phenyl-?
The CAS number of 1,6-Heptadiene, 4-phenyl- is 13064-21-6.
What is the molecular formula of 1,6-Heptadiene, 4-phenyl-?
The molecular formula of 1,6-Heptadiene, 4-phenyl- is C13H16.
What is the molecular weight of 1,6-Heptadiene, 4-phenyl-?
The molecular weight of 1,6-Heptadiene, 4-phenyl- is 172.1252 g/mol.
Where can I buy 1,6-Heptadiene, 4-phenyl-?
You can request a quote for 1,6-Heptadiene, 4-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,6-Heptadiene, 4-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1,6-Heptadiene, 4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.