6-Hepten-3-one
TL;DR: 6-Hepten-3-one (CAS 2565-39-1) is a chemical compound with molecular formula CCC(=O)CCC=C and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-6-en-3-one
Also Known As: hept-6-en-3-one, 6-Hepten-3-one, hept-1-ene-5-one, RefChem:308476
| Molecular Formula | CCC(=O)CCC=C |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 2565-39-1 |
|---|---|
| SMILES | CCC(=O)CCC=C |
| InChIKey | BSYCQORECWMSQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Hepten-3-one (CAS 2565-39-1), with molecular formula CCC(=O)CCC=C and molecular weight 112.09 g/mol. IUPAC: hept-6-en-3-one.
Chemical Property Profile of 6-Hepten-3-one
Property Insights of 6-Hepten-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hepten-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Hepten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hepten-3-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 6-Hepten-3-one?
The CAS number of 6-Hepten-3-one is 2565-39-1.
What is the molecular formula of 6-Hepten-3-one?
The molecular formula of 6-Hepten-3-one is CCC(=O)CCC=C.
What is the molecular weight of 6-Hepten-3-one?
The molecular weight of 6-Hepten-3-one is 112.09 g/mol.
Where can I buy 6-Hepten-3-one?
You can request a quote for 6-Hepten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hepten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Hepten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.