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 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H22O3S |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.5703 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.12897 |
| Heavy Atoms | 15 |
| Complexity | 192.27205 |
Chemical Identifiers
| CAS Number | 100534-51-8 |
|---|---|
| SMILES | CCCCCCCCS(=O)CCC(=O)O |
Product Overview
3-(Octylsulfinyl)propanoic acid (CAS 100534-51-8), with molecular formula C11H22O3S and molecular weight 234.13 g/mol. IUPAC: 3-octylsulfinylpropanoic acid.
Chemical Property Profile of 3-(Octylsulfinyl)propanoic acid
Property Insights of 3-(Octylsulfinyl)propanoic acid
The XLogP value of 2.5703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Octylsulfinyl)propanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(Octylsulfinyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Octylsulfinyl)propanoic acid has 1 hydrogen bond donor(s) and 2 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 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 234.13 g/mol.
Where can I buy 3-(Octylsulfinyl)propanoic acid?
You can request a quote for 3-(Octylsulfinyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Octylsulfinyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Octylsulfinyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.