Dipotassium 12-sulfato-9-octadecenoate
TL;DR: Dipotassium 12-sulfato-9-octadecenoate (CAS 53404-44-7) is a chemical compound with molecular formula C18H32K2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;(E)-12-sulfonatooxyoctadec-9-enoate
Also Known As: Sodium sulforicinoleate, Dipotassium 12-sulfato-9-octadecenoate, dipotassium (E)-12-sulfonatooxyoctadec-9-enoate, 9-Octadecenoic acid, 12-(sulfooxy)-, dipotassium salt, 12-(Sulfooxy)-9-octadecenoic acid dipotassium salt
| Molecular Formula | C18H32K2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | -2.7629 |
| Topological Polar Surface Area | 106.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 454.1194 |
| Heavy Atoms | 27 |
| Complexity | 468.47232 |
Chemical Identifiers
| CAS Number | 53404-44-7 |
|---|---|
| SMILES | CCCCCCC(C/C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-].[K+].[K+] |
Product Overview
Dipotassium 12-sulfato-9-octadecenoate (CAS 53404-44-7), with molecular formula C18H32K2O6S and molecular weight 454.12 g/mol. IUPAC: dipotassium;(E)-12-sulfonatooxyoctadec-9-enoate.
Chemical Property Profile of Dipotassium 12-sulfato-9-octadecenoate
Property Insights of Dipotassium 12-sulfato-9-octadecenoate
The XLogP value of -2.7629 indicates that Dipotassium 12-sulfato-9-octadecenoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipotassium 12-sulfato-9-octadecenoate. Following Lipinski's Rule of Five, Dipotassium 12-sulfato-9-octadecenoate has 0 hydrogen bond donor(s) and 6 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 Dipotassium 12-sulfato-9-octadecenoate?
The CAS number of Dipotassium 12-sulfato-9-octadecenoate is 53404-44-7.
What is the molecular formula of Dipotassium 12-sulfato-9-octadecenoate?
The molecular formula of Dipotassium 12-sulfato-9-octadecenoate is C18H32K2O6S.
What is the molecular weight of Dipotassium 12-sulfato-9-octadecenoate?
The molecular weight of Dipotassium 12-sulfato-9-octadecenoate is 454.12 g/mol.
Where can I buy Dipotassium 12-sulfato-9-octadecenoate?
You can request a quote for Dipotassium 12-sulfato-9-octadecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipotassium 12-sulfato-9-octadecenoate?
Yes, KEHONG BIO provides custom synthesis services for Dipotassium 12-sulfato-9-octadecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.