4,6-Heptadien-2-one
TL;DR: 4,6-Heptadien-2-one (CAS 94291-57-3) is a chemical compound with molecular formula C7H10O and molecular weight 110.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-4,6-dien-2-one
Also Known As: Hepta-4,6-dien-2-one, 4,6-HEPTADIEN-2-ONE, 4,6-Heptadien-2-one (9CI)
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 1.7077 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 111.55524 |
Chemical Identifiers
| CAS Number | 94291-57-3 |
|---|---|
| SMILES | CC(=O)CC=CC=C |
Product Overview
4,6-Heptadien-2-one (CAS 94291-57-3), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: hepta-4,6-dien-2-one.
Chemical Property Profile of 4,6-Heptadien-2-one
Property Insights of 4,6-Heptadien-2-one
The XLogP value of 1.7077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Heptadien-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 4,6-Heptadien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Heptadien-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 4,6-Heptadien-2-one?
The CAS number of 4,6-Heptadien-2-one is 94291-57-3.
What is the molecular formula of 4,6-Heptadien-2-one?
The molecular formula of 4,6-Heptadien-2-one is C7H10O.
What is the molecular weight of 4,6-Heptadien-2-one?
The molecular weight of 4,6-Heptadien-2-one is 110.07 g/mol.
Where can I buy 4,6-Heptadien-2-one?
You can request a quote for 4,6-Heptadien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Heptadien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Heptadien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.