7-Methyl-4-octanone
TL;DR: 7-Methyl-4-octanone (CAS 20809-46-5) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyloctan-4-one
Also Known As: 7-methyloctan-4-one, 7-METHYL-4-OCTANONE, 4-Octanone, 7-methyl-, 7-methyl-octan-4-one, Isopentylpropyl ketone
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 20809-46-5 |
|---|---|
| SMILES | CCCC(=O)CCC(C)C |
| InChIKey | JUTSLBALKVVBQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methyl-4-octanone (CAS 20809-46-5), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 7-methyloctan-4-one.
Chemical Property Profile of 7-Methyl-4-octanone
Property Insights of 7-Methyl-4-octanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-4-octanone. With a topological polar surface area (TPSA) of 17.1 Ų, 7-Methyl-4-octanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-4-octanone 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 7-Methyl-4-octanone?
The CAS number of 7-Methyl-4-octanone is 20809-46-5.
What is the molecular formula of 7-Methyl-4-octanone?
The molecular formula of 7-Methyl-4-octanone is C9H18O.
What is the molecular weight of 7-Methyl-4-octanone?
The molecular weight of 7-Methyl-4-octanone is 142.14 g/mol.
Where can I buy 7-Methyl-4-octanone?
You can request a quote for 7-Methyl-4-octanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-4-octanone?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-4-octanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.