Hepta-4,6-diene
TL;DR: Hepta-4,6-diene (CAS 2384-92-1) is a chemical compound with molecular formula CCCC=CC=C and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-1,3-diene
Also Known As: 1,3-heptadiene, hepta-1,3-diene, hepta-4,6-diene, 1,3-heptadiene, cis, (E)-1,3-Heptadiene
| Molecular Formula | CCCC=CC=C |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 2384-92-1 |
|---|---|
| SMILES | CCCC=CC=C |
| InChIKey | OGQVROWWFUXRST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hepta-4,6-diene (CAS 2384-92-1), with molecular formula CCCC=CC=C and molecular weight 96.09 g/mol. IUPAC: hepta-1,3-diene.
Chemical Property Profile of Hepta-4,6-diene
Property Insights of Hepta-4,6-diene
The XLogP value of 3.1 indicates that Hepta-4,6-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hepta-4,6-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hepta-4,6-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-4,6-diene?
The CAS number of Hepta-4,6-diene is 2384-92-1.
What is the molecular formula of Hepta-4,6-diene?
The molecular formula of Hepta-4,6-diene is CCCC=CC=C.
What is the molecular weight of Hepta-4,6-diene?
The molecular weight of Hepta-4,6-diene is 96.09 g/mol.
Where can I buy Hepta-4,6-diene?
You can request a quote for Hepta-4,6-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepta-4,6-diene?
Yes, KEHONG BIO provides custom synthesis services for Hepta-4,6-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.