3,7-Octadien-2-one, (E)-
TL;DR: 3,7-Octadien-2-one, (E)- (CAS 25172-06-9) 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.
(3E)-octa-3,7-dien-2-one
Also Known As: 7-octadien-2-one, 3,7-Octadiene-2-one, octa-3,7-dien-2-one, 3,7-Octadien-2-one, (E)-, -3,7-Octadiene-2-one
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.0978 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 122.52933 |
Chemical Identifiers
| CAS Number | 25172-06-9 |
|---|---|
| SMILES | CC(=O)/C=C/CCC=C |
Product Overview
3,7-Octadien-2-one, (E)- (CAS 25172-06-9), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: (3E)-octa-3,7-dien-2-one.
Chemical Property Profile of 3,7-Octadien-2-one, (E)-
Property Insights of 3,7-Octadien-2-one, (E)-
The XLogP value of 2.0978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Octadien-2-one, (E)-. With a topological polar surface area (TPSA) of 17.07 Ų, 3,7-Octadien-2-one, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Octadien-2-one, (E)- 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 3,7-Octadien-2-one, (E)-?
The CAS number of 3,7-Octadien-2-one, (E)- is 25172-06-9.
What is the molecular formula of 3,7-Octadien-2-one, (E)-?
The molecular formula of 3,7-Octadien-2-one, (E)- is C8H12O.
What is the molecular weight of 3,7-Octadien-2-one, (E)-?
The molecular weight of 3,7-Octadien-2-one, (E)- is 124.09 g/mol.
Where can I buy 3,7-Octadien-2-one, (E)-?
You can request a quote for 3,7-Octadien-2-one, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Octadien-2-one, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Octadien-2-one, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.