Butylallene
TL;DR: Butylallene (CAS 2384-90-9) 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-1,2-diene
Also Known As: Butylallene, 1,2-Heptadiene, hepta-1,2-diene, n-butylallene, 1-BUTYLALLENE
| 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 | 3 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2384-90-9 |
|---|---|
| SMILES | CCCCC=C=C |
| InChIKey | OEMWTWLQGRYBGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylallene (CAS 2384-90-9), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: hepta-1,2-diene.
Chemical Property Profile of Butylallene
Property Insights of Butylallene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylallene. With a topological polar surface area (TPSA) of 0.0 Ų, Butylallene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylallene 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 Butylallene?
The CAS number of Butylallene is 2384-90-9.
What is the molecular formula of Butylallene?
The molecular formula of Butylallene is C7H12.
What is the molecular weight of Butylallene?
The molecular weight of Butylallene is 96.09 g/mol.
Where can I buy Butylallene?
You can request a quote for Butylallene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylallene?
Yes, KEHONG BIO provides custom synthesis services for Butylallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.