Hepta-2,5-diene
TL;DR: Hepta-2,5-diene (CAS 39619-61-9) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-2,5-diene
Also Known As: hepta-2,5-diene, 2,5-Heptadiene, 2,5-Heptadiene,(E,Z), 2,5-Heptadiene, (E,Z)-
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.6 |
| 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 | 58.0 |
Chemical Identifiers
| CAS Number | 39619-61-9 |
|---|---|
| SMILES | CC=CCC=CC |
| InChIKey | JAGYXYUAYDLKNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hepta-2,5-diene (CAS 39619-61-9), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: hepta-2,5-diene.
Chemical Property Profile of Hepta-2,5-diene
Property Insights of Hepta-2,5-diene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hepta-2,5-diene. With a topological polar surface area (TPSA) of 0.0 Ų, Hepta-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hepta-2,5-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-2,5-diene?
The CAS number of Hepta-2,5-diene is 39619-61-9.
What is the molecular formula of Hepta-2,5-diene?
The molecular formula of Hepta-2,5-diene is C7H12.
What is the molecular weight of Hepta-2,5-diene?
The molecular weight of Hepta-2,5-diene is 96.09 g/mol.
Where can I buy Hepta-2,5-diene?
You can request a quote for Hepta-2,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepta-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for Hepta-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.