1-Methanesulfinyloctane
TL;DR: 1-Methanesulfinyloctane (CAS 3079-27-4) is a chemical compound with molecular formula C9H20OS and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfinyloctane
Also Known As: octyl methyl sulfoxide, 1-METHANESULFINYLOCTANE, 1-methylsulfinyloctane, methyl octyl sulfoxide, 1-(methylsulfinyl)octane
| Molecular Formula | C9H20OS |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.7254 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.12349 |
| Heavy Atoms | 11 |
| Complexity | 101.735855 |
Chemical Identifiers
| CAS Number | 3079-27-4 |
|---|---|
| SMILES | CCCCCCCCS(=O)C |
Product Overview
1-Methanesulfinyloctane (CAS 3079-27-4), with molecular formula C9H20OS and molecular weight 176.12 g/mol. IUPAC: 1-methylsulfinyloctane.
Chemical Property Profile of 1-Methanesulfinyloctane
Property Insights of 1-Methanesulfinyloctane
The XLogP value of 2.7254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methanesulfinyloctane. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Methanesulfinyloctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methanesulfinyloctane 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 1-Methanesulfinyloctane?
The CAS number of 1-Methanesulfinyloctane is 3079-27-4.
What is the molecular formula of 1-Methanesulfinyloctane?
The molecular formula of 1-Methanesulfinyloctane is C9H20OS.
What is the molecular weight of 1-Methanesulfinyloctane?
The molecular weight of 1-Methanesulfinyloctane is 176.12 g/mol.
Where can I buy 1-Methanesulfinyloctane?
You can request a quote for 1-Methanesulfinyloctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methanesulfinyloctane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methanesulfinyloctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.