Diisobutyl sulfosuccinate
TL;DR: Diisobutyl sulfosuccinate (CAS 88-48-2) is a chemical compound with molecular formula C12H22O7S and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: Diisobutyl sulfosuccinate, Sulfobernsteinsaurediisobutylester, Succinic acid, sulfo-, diisobutyl ester, Sulfosuccinic acid 1,4-diisobutyl ester, 2-Sulfosuccinic acid 1,4-diisobutyl ester
| Molecular Formula | C12H22O7S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.1086 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 88-48-2 |
|---|---|
| SMILES | CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O |
| InChIKey | NNARPPSIYMCXMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisobutyl sulfosuccinate (CAS 88-48-2), with molecular formula C12H22O7S and molecular weight 310.11 g/mol. IUPAC: 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of Diisobutyl sulfosuccinate
Property Insights of Diisobutyl sulfosuccinate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisobutyl sulfosuccinate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisobutyl sulfosuccinate. Following Lipinski's Rule of Five, Diisobutyl sulfosuccinate has 1 hydrogen bond donor(s) and 7 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 Diisobutyl sulfosuccinate?
The CAS number of Diisobutyl sulfosuccinate is 88-48-2.
What is the molecular formula of Diisobutyl sulfosuccinate?
The molecular formula of Diisobutyl sulfosuccinate is C12H22O7S.
What is the molecular weight of Diisobutyl sulfosuccinate?
The molecular weight of Diisobutyl sulfosuccinate is 310.11 g/mol.
Where can I buy Diisobutyl sulfosuccinate?
You can request a quote for Diisobutyl sulfosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl sulfosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl sulfosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.