Butyl 9-(sulfooxy)stearate
TL;DR: Butyl 9-(sulfooxy)stearate (CAS 122-53-2) is a chemical compound with molecular formula C22H44O6S and molecular weight 436.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 9-sulfooxyoctadecanoate
Also Known As: Butyl oleate sulfate, butyl 9-sulfooxyoctadecanoate, Butyl 9-(sulfooxy)stearate, Sulfated butyl oleate, Octadecanoic acid, 9-(sulfooxy)-, 1-butyl ester
| Molecular Formula | C22H44O6S |
|---|---|
| Molecular Weight | 436.29 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 436.28586 |
| Heavy Atoms | 29 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 122-53-2 |
|---|---|
| SMILES | CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)O |
| InChIKey | AVTJBWDHTDGIIG-UHFFFAOYSA-N |
Product Overview
Butyl 9-(sulfooxy)stearate (CAS 122-53-2), with molecular formula C22H44O6S and molecular weight 436.29 g/mol. IUPAC: butyl 9-sulfooxyoctadecanoate.
Chemical Property Profile of Butyl 9-(sulfooxy)stearate
Property Insights of Butyl 9-(sulfooxy)stearate
The XLogP value of 7.5 indicates that Butyl 9-(sulfooxy)stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 9-(sulfooxy)stearate. Following Lipinski's Rule of Five, Butyl 9-(sulfooxy)stearate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 9-(sulfooxy)stearate?
The CAS number of Butyl 9-(sulfooxy)stearate is 122-53-2.
What is the molecular formula of Butyl 9-(sulfooxy)stearate?
The molecular formula of Butyl 9-(sulfooxy)stearate is C22H44O6S.
What is the molecular weight of Butyl 9-(sulfooxy)stearate?
The molecular weight of Butyl 9-(sulfooxy)stearate is 436.29 g/mol.
Where can I buy Butyl 9-(sulfooxy)stearate?
You can request a quote for Butyl 9-(sulfooxy)stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 9-(sulfooxy)stearate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 9-(sulfooxy)stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.