Octan-4-one
TL;DR: Octan-4-one (CAS 589-63-9) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-4-one
Also Known As: Octan-4-one, Butyl propyl ketone, Octan4one, Propyl n-butyl ketone, 4-Oxooctane
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 589-63-9 |
|---|---|
| SMILES | CCCCC(=O)CCC |
| InChIKey | YWXLSHOWXZUMSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octan-4-one (CAS 589-63-9), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: octan-4-one.
Chemical Property Profile of Octan-4-one
Property Insights of Octan-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octan-4-one. With a topological polar surface area (TPSA) of 17.1 Ų, Octan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-4-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 Octan-4-one?
The CAS number of Octan-4-one is 589-63-9.
What is the molecular formula of Octan-4-one?
The molecular formula of Octan-4-one is C8H16O.
What is the molecular weight of Octan-4-one?
The molecular weight of Octan-4-one is 128.12 g/mol.
Where can I buy Octan-4-one?
You can request a quote for Octan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octan-4-one?
Yes, KEHONG BIO provides custom synthesis services for Octan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.