1-Methoxy-1,3,5-heptatriene
TL;DR: 1-Methoxy-1,3,5-heptatriene (CAS 92071-97-1) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,3E,5E)-1-methoxyhepta-1,3,5-triene
Also Known As: 1-Methoxy-1,3,5-heptatriene, 1,3,5-Heptatriene, 1-methoxy-, (1E,3E,5E)-1-methoxyhepta-1,3,5-triene
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.2788 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 120.52933 |
Chemical Identifiers
| CAS Number | 92071-97-1 |
|---|---|
| SMILES | C/C=C/C=C/C=C/OC |
Product Overview
1-Methoxy-1,3,5-heptatriene (CAS 92071-97-1), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: (1E,3E,5E)-1-methoxyhepta-1,3,5-triene.
Chemical Property Profile of 1-Methoxy-1,3,5-heptatriene
Property Insights of 1-Methoxy-1,3,5-heptatriene
The XLogP value of 2.2788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-1,3,5-heptatriene. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Methoxy-1,3,5-heptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-1,3,5-heptatriene has 0 hydrogen bond donor(s) and 1 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 1-Methoxy-1,3,5-heptatriene?
The CAS number of 1-Methoxy-1,3,5-heptatriene is 92071-97-1.
What is the molecular formula of 1-Methoxy-1,3,5-heptatriene?
The molecular formula of 1-Methoxy-1,3,5-heptatriene is C8H12O.
What is the molecular weight of 1-Methoxy-1,3,5-heptatriene?
The molecular weight of 1-Methoxy-1,3,5-heptatriene is 124.09 g/mol.
Where can I buy 1-Methoxy-1,3,5-heptatriene?
You can request a quote for 1-Methoxy-1,3,5-heptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-1,3,5-heptatriene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-1,3,5-heptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.