3-(Octylsulfinyl)propanoic acid
TL;DR: 3-(Octylsulfinyl)propanoic acid (CAS 100534-51-8) is a chemical compound with molecular formula C11H22O3S and molecular weight 234.12897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-octylsulfinylpropanoic acid
Also Known As: 3-(octylsulfinyl)propanoic acid, 3-octylsulfinylpropanoic acid, 3-(octane-1-sulfinyl)propanoic acid, 3-(Octylsulphinyl)propanoic acid, ZERO/001471
Technical Specifications
| Molecular Formula | C11H22O3S |
| Molecular Weight | 234.12897 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.12897 Da |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
| SMILES | CCCCCCCCS(=O)CCC(=O)O |
| InChIKey | XVNOLOWZGLUMGU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Octylsulfinyl)propanoic acid
Property Insights of 3-(Octylsulfinyl)propanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Octylsulfinyl)propanoic acid. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Octylsulfinyl)propanoic acid. Following Lipinski's Rule of Five, 3-(Octylsulfinyl)propanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Octylsulfinyl)propanoic acid?
The CAS number of 3-(Octylsulfinyl)propanoic acid is 100534-51-8.
What is the molecular formula of 3-(Octylsulfinyl)propanoic acid?
The molecular formula of 3-(Octylsulfinyl)propanoic acid is C11H22O3S.
What is the molecular weight of 3-(Octylsulfinyl)propanoic acid?
The molecular weight of 3-(Octylsulfinyl)propanoic acid is 234.12897 g/mol.
Where can I buy 3-(Octylsulfinyl)propanoic acid?
You can request a quote for 3-(Octylsulfinyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Octylsulfinyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Octylsulfinyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.