3,4-Heptadiene
TL;DR: 3,4-Heptadiene (CAS 2454-31-1) 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-3,4-diene
Also Known As: 3,4-Heptadiene, hepta-3,4-diene, 1,3-Diethylallene, 4-Heptadien, RefChem:271257
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.1 |
| 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 | 60.0 |
Chemical Identifiers
| CAS Number | 2454-31-1 |
|---|---|
| SMILES | CCC=C=CCC |
| InChIKey | ZLYMNRDOPVPQPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Heptadiene (CAS 2454-31-1), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: hepta-3,4-diene.
Chemical Property Profile of 3,4-Heptadiene
Property Insights of 3,4-Heptadiene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Heptadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Heptadiene 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 3,4-Heptadiene?
The CAS number of 3,4-Heptadiene is 2454-31-1.
What is the molecular formula of 3,4-Heptadiene?
The molecular formula of 3,4-Heptadiene is C7H12.
What is the molecular weight of 3,4-Heptadiene?
The molecular weight of 3,4-Heptadiene is 96.09 g/mol.
Where can I buy 3,4-Heptadiene?
You can request a quote for 3,4-Heptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Heptadiene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.