2-Heptanone, 1-(methylsulfinyl)-
TL;DR: 2-Heptanone, 1-(methylsulfinyl)- (CAS 2863-47-0) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfinylheptan-2-one
Also Known As: 1-(Methylsulfinyl)-2-heptanone, 1-methylsulfinylheptan-2-one, 1-methanesulfinyl-heptan-2-one, 1-(Methylsulfinyl)-2-heptanone #, 2-Heptanone, 1-(methylsulfinyl)-
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 2863-47-0 |
|---|---|
| SMILES | CCCCCC(=O)CS(=O)C |
| InChIKey | LCAUOLWVIJUNBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptanone, 1-(methylsulfinyl)- (CAS 2863-47-0), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 1-methylsulfinylheptan-2-one.
Chemical Property Profile of 2-Heptanone, 1-(methylsulfinyl)-
Property Insights of 2-Heptanone, 1-(methylsulfinyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptanone, 1-(methylsulfinyl)-. With a topological polar surface area (TPSA) of 53.4 Ų, 2-Heptanone, 1-(methylsulfinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptanone, 1-(methylsulfinyl)- has 0 hydrogen bond donor(s) and 3 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 2-Heptanone, 1-(methylsulfinyl)-?
The CAS number of 2-Heptanone, 1-(methylsulfinyl)- is 2863-47-0.
What is the molecular formula of 2-Heptanone, 1-(methylsulfinyl)-?
The molecular formula of 2-Heptanone, 1-(methylsulfinyl)- is C8H16O2S.
What is the molecular weight of 2-Heptanone, 1-(methylsulfinyl)-?
The molecular weight of 2-Heptanone, 1-(methylsulfinyl)- is 176.09 g/mol.
Where can I buy 2-Heptanone, 1-(methylsulfinyl)-?
You can request a quote for 2-Heptanone, 1-(methylsulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptanone, 1-(methylsulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptanone, 1-(methylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.