Isobutyl 9-(sulfooxy)stearate
TL;DR: Isobutyl 9-(sulfooxy)stearate (CAS 97403-96-8) 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.
2-methylpropyl 9-sulfooxyoctadecanoate
Also Known As: Isobutyl 9-(sulfooxy)stearate, 2-methylpropyl 9-sulfooxyoctadecanoate, Octadecanoic acid, 9-(sulfooxy)-, 1-(2-methylpropyl) ester, 1-(2-methylpropoxycarbonyl)-8-sulfooxy-heptadecane, 9-(Sulfooxy)octadecanoic acid 1-(2-methylpropyl) ester
| Molecular Formula | C22H44O6S |
|---|---|
| Molecular Weight | 436.29 g/mol |
| LogP | 6.245 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 436.28586 |
| Heavy Atoms | 29 |
| Complexity | 489.53094 |
Chemical Identifiers
| CAS Number | 97403-96-8 |
|---|---|
| SMILES | CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O |
Product Overview
Isobutyl 9-(sulfooxy)stearate (CAS 97403-96-8), with molecular formula C22H44O6S and molecular weight 436.29 g/mol. IUPAC: 2-methylpropyl 9-sulfooxyoctadecanoate.
Chemical Property Profile of Isobutyl 9-(sulfooxy)stearate
Property Insights of Isobutyl 9-(sulfooxy)stearate
The XLogP value of 6.245 indicates that Isobutyl 9-(sulfooxy)stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 9-(sulfooxy)stearate. Following Lipinski's Rule of Five, Isobutyl 9-(sulfooxy)stearate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isobutyl 9-(sulfooxy)stearate?
The CAS number of Isobutyl 9-(sulfooxy)stearate is 97403-96-8.
What is the molecular formula of Isobutyl 9-(sulfooxy)stearate?
The molecular formula of Isobutyl 9-(sulfooxy)stearate is C22H44O6S.
What is the molecular weight of Isobutyl 9-(sulfooxy)stearate?
The molecular weight of Isobutyl 9-(sulfooxy)stearate is 436.29 g/mol.
Where can I buy Isobutyl 9-(sulfooxy)stearate?
You can request a quote for Isobutyl 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 Isobutyl 9-(sulfooxy)stearate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 9-(sulfooxy)stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.