Hepta-2,4-diene
TL;DR: Hepta-2,4-diene (CAS 628-72-8) is a chemical compound with molecular formula CCC=CC=CC and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-2,4-diene
Also Known As: hepta-2,4-diene, 3,5-Heptanediene, cis-2-trans-4-Heptadien, 2,4-Heptadiene,(2Z,4E)-
| Molecular Formula | CCC=CC=CC |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 628-72-8 |
|---|---|
| SMILES | CCC=CC=CC |
| InChIKey | XTJLXXCARCJVPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hepta-2,4-diene (CAS 628-72-8), with molecular formula CCC=CC=CC and molecular weight 96.09 g/mol. IUPAC: hepta-2,4-diene.
Chemical Property Profile of Hepta-2,4-diene
Property Insights of Hepta-2,4-diene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hepta-2,4-diene. With a topological polar surface area (TPSA) of 0.0 Ų, Hepta-2,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hepta-2,4-diene 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 Hepta-2,4-diene?
The CAS number of Hepta-2,4-diene is 628-72-8.
What is the molecular formula of Hepta-2,4-diene?
The molecular formula of Hepta-2,4-diene is CCC=CC=CC.
What is the molecular weight of Hepta-2,4-diene?
The molecular weight of Hepta-2,4-diene is 96.09 g/mol.
Where can I buy Hepta-2,4-diene?
You can request a quote for Hepta-2,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepta-2,4-diene?
Yes, KEHONG BIO provides custom synthesis services for Hepta-2,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.