(3E,5E,7E)-3,5,7-Nonatrien-2-one
TL;DR: (3E,5E,7E)-3,5,7-Nonatrien-2-one (CAS 178980-03-5) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5E,7E)-nona-3,5,7-trien-2-one
Also Known As: Hexadienylidene acetone, 3,5,7-Nonatrien-2-one, nona-3,5,7-trien-2-one, (3E,5E,7E)-nona-3,5,7-trien-2-one, (3E,5E,7E)-3,5,7-Nonatrien-2-one
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.2639 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 173.16728 |
Chemical Identifiers
| CAS Number | 178980-03-5 |
|---|---|
| SMILES | C/C=C/C=C/C=C/C(=O)C |
Product Overview
(3E,5E,7E)-3,5,7-Nonatrien-2-one (CAS 178980-03-5), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: (3E,5E,7E)-nona-3,5,7-trien-2-one.
Chemical Property Profile of (3E,5E,7E)-3,5,7-Nonatrien-2-one
Property Insights of (3E,5E,7E)-3,5,7-Nonatrien-2-one
The XLogP value of 2.2639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E,5E,7E)-3,5,7-Nonatrien-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, (3E,5E,7E)-3,5,7-Nonatrien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E,5E,7E)-3,5,7-Nonatrien-2-one 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 (3E,5E,7E)-3,5,7-Nonatrien-2-one?
The CAS number of (3E,5E,7E)-3,5,7-Nonatrien-2-one is 178980-03-5.
What is the molecular formula of (3E,5E,7E)-3,5,7-Nonatrien-2-one?
The molecular formula of (3E,5E,7E)-3,5,7-Nonatrien-2-one is C9H12O.
What is the molecular weight of (3E,5E,7E)-3,5,7-Nonatrien-2-one?
The molecular weight of (3E,5E,7E)-3,5,7-Nonatrien-2-one is 136.09 g/mol.
Where can I buy (3E,5E,7E)-3,5,7-Nonatrien-2-one?
You can request a quote for (3E,5E,7E)-3,5,7-Nonatrien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E,5E,7E)-3,5,7-Nonatrien-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E,5E,7E)-3,5,7-Nonatrien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.