S-(tert-Butyl) 12-hydroxyoctadecanethioate
TL;DR: S-(tert-Butyl) 12-hydroxyoctadecanethioate (CAS 58587-08-9) is a chemical compound with molecular formula C22H44O2S and molecular weight 372.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 12-hydroxyoctadecanethioate
Also Known As: S- 12-hydroxyoctadecanethioate, S-(tert-Butyl) 12-hydroxyoctadecanethioate, S-tert-butyl 12-hydroxyoctadecanethioate, S-(tert-Butyl) 12-hydroxyoctadecanethioate #, 12-Hydroxyoctadecanethioic acid, S-t-butyl ester
| Molecular Formula | C22H44O2S |
|---|---|
| Molecular Weight | 372.31 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 372.3062 |
| Heavy Atoms | 25 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 58587-08-9 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)SC(C)(C)C)O |
| InChIKey | LUSFYXNXJWEXLR-UHFFFAOYSA-N |
Product Overview
S-(tert-Butyl) 12-hydroxyoctadecanethioate (CAS 58587-08-9), with molecular formula C22H44O2S and molecular weight 372.31 g/mol. IUPAC: S-tert-butyl 12-hydroxyoctadecanethioate.
Chemical Property Profile of S-(tert-Butyl) 12-hydroxyoctadecanethioate
Property Insights of S-(tert-Butyl) 12-hydroxyoctadecanethioate
The XLogP value of 8.2 indicates that S-(tert-Butyl) 12-hydroxyoctadecanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(tert-Butyl) 12-hydroxyoctadecanethioate. Following Lipinski's Rule of Five, S-(tert-Butyl) 12-hydroxyoctadecanethioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(tert-Butyl) 12-hydroxyoctadecanethioate?
The CAS number of S-(tert-Butyl) 12-hydroxyoctadecanethioate is 58587-08-9.
What is the molecular formula of S-(tert-Butyl) 12-hydroxyoctadecanethioate?
The molecular formula of S-(tert-Butyl) 12-hydroxyoctadecanethioate is C22H44O2S.
What is the molecular weight of S-(tert-Butyl) 12-hydroxyoctadecanethioate?
The molecular weight of S-(tert-Butyl) 12-hydroxyoctadecanethioate is 372.31 g/mol.
Where can I buy S-(tert-Butyl) 12-hydroxyoctadecanethioate?
You can request a quote for S-(tert-Butyl) 12-hydroxyoctadecanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(tert-Butyl) 12-hydroxyoctadecanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(tert-Butyl) 12-hydroxyoctadecanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.