Calcium didecyl sulfosuccinate
TL;DR: Calcium didecyl sulfosuccinate (CAS 70642-86-3) is a chemical compound with molecular formula C48H90CaO14S2 and molecular weight 994.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(1,4-didecoxy-1,4-dioxobutane-2-sulfonate)
Also Known As: calcium didecyl sulfosuccinate, C24H46O7S.1/2Ca, Butanedioic acid, sulfo-, 1,4-didecyl ester, calcium salt, Calcium 1,4-didecyl bis(2-sulphosuccinate), C24-H46-O7-S.1/2Ca
| Molecular Formula | C48H90CaO14S2 |
|---|---|
| Molecular Weight | 994.54 g/mol |
| LogP | 10.9354 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 46 |
| Exact Mass | 994.5398 |
| Heavy Atoms | 65 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 70642-86-3 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | ULHRXIGKWVVDKR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium didecyl sulfosuccinate (CAS 70642-86-3), with molecular formula C48H90CaO14S2 and molecular weight 994.54 g/mol. IUPAC: calcium bis(1,4-didecoxy-1,4-dioxobutane-2-sulfonate).
Chemical Property Profile of Calcium didecyl sulfosuccinate
Property Insights of Calcium didecyl sulfosuccinate
The XLogP value of 10.9354 indicates that Calcium didecyl sulfosuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Calcium didecyl sulfosuccinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium didecyl sulfosuccinate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium didecyl sulfosuccinate?
The CAS number of Calcium didecyl sulfosuccinate is 70642-86-3.
What is the molecular formula of Calcium didecyl sulfosuccinate?
The molecular formula of Calcium didecyl sulfosuccinate is C48H90CaO14S2.
What is the molecular weight of Calcium didecyl sulfosuccinate?
The molecular weight of Calcium didecyl sulfosuccinate is 994.54 g/mol.
Where can I buy Calcium didecyl sulfosuccinate?
You can request a quote for Calcium didecyl sulfosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium didecyl sulfosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Calcium didecyl sulfosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.