2-Propan-2-yl-18-sulfanyloctadecanoic acid
TL;DR: 2-Propan-2-yl-18-sulfanyloctadecanoic acid (CAS 113184-21-7) is a chemical compound with molecular formula C21H42O2S and molecular weight 358.29056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propan-2-yl-18-sulfanyloctadecanoic acid
Also Known As: Butanoic acid, 2-(hexadecylthio)-3-methyl-, 2-propan-2-yl-18-sulfanyloctadecanoic acid
Technical Specifications
| Molecular Formula | C21H42O2S |
| Molecular Weight | 358.29056 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 358.29056 Da |
| Heavy Atoms | 24 |
| Complexity | 279.0 |
| SMILES | CC(C)C(CCCCCCCCCCCCCCCCS)C(=O)O |
| InChIKey | MSUPTJYVVNYKCF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propan-2-yl-18-sulfanyloctadecanoic acid
Property Insights of 2-Propan-2-yl-18-sulfanyloctadecanoic acid
The XLogP value of 8.9 indicates that 2-Propan-2-yl-18-sulfanyloctadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Propan-2-yl-18-sulfanyloctadecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propan-2-yl-18-sulfanyloctadecanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Propan-2-yl-18-sulfanyloctadecanoic acid?
The CAS number of 2-Propan-2-yl-18-sulfanyloctadecanoic acid is 113184-21-7.
What is the molecular formula of 2-Propan-2-yl-18-sulfanyloctadecanoic acid?
The molecular formula of 2-Propan-2-yl-18-sulfanyloctadecanoic acid is C21H42O2S.
What is the molecular weight of 2-Propan-2-yl-18-sulfanyloctadecanoic acid?
The molecular weight of 2-Propan-2-yl-18-sulfanyloctadecanoic acid is 358.29056 g/mol.
Where can I buy 2-Propan-2-yl-18-sulfanyloctadecanoic acid?
You can request a quote for 2-Propan-2-yl-18-sulfanyloctadecanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propan-2-yl-18-sulfanyloctadecanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Propan-2-yl-18-sulfanyloctadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.