Octa-1,3,7-triene
TL;DR: Octa-1,3,7-triene (CAS 1002-35-3) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octa-1,3,7-triene
Also Known As: Octa-1,3,7-triene, 1,3,7-Octatriene, .alpha.-Ocimene, Octa-1,3,7-trien, 1.3.7-OCTATRIENE
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 1002-35-3 |
|---|---|
| SMILES | C=CCCC=CC=C |
| InChIKey | ZTJHDEXGCKAXRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octa-1,3,7-triene (CAS 1002-35-3), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: octa-1,3,7-triene.
Chemical Property Profile of Octa-1,3,7-triene
Property Insights of Octa-1,3,7-triene
The XLogP value of 3.1 indicates that Octa-1,3,7-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octa-1,3,7-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octa-1,3,7-triene 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 Octa-1,3,7-triene?
The CAS number of Octa-1,3,7-triene is 1002-35-3.
What is the molecular formula of Octa-1,3,7-triene?
The molecular formula of Octa-1,3,7-triene is C8H12.
What is the molecular weight of Octa-1,3,7-triene?
The molecular weight of Octa-1,3,7-triene is 108.09 g/mol.
Where can I buy Octa-1,3,7-triene?
You can request a quote for Octa-1,3,7-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octa-1,3,7-triene?
Yes, KEHONG BIO provides custom synthesis services for Octa-1,3,7-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.