Dibutyl sulfosuccinate
TL;DR: Dibutyl sulfosuccinate (CAS 120-96-7) 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-dibutoxy-1,4-dioxobutane-2-sulfonic acid
Also Known As: Dibutyl sulfosuccinate, dibutoxysulfosuccinic acid, 1,4-dibutoxy-1,4-dioxobutane-2-sulfonic acid, Sulfosuccinic acid 1,4-dibutyl ester, Sodium sulfosuccinic acid dibutyl ester
| Molecular Formula | C12H22O7S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 310.1086 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 120-96-7 |
|---|---|
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)S(=O)(=O)O |
| InChIKey | YPDHMBTYUUZFOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl sulfosuccinate (CAS 120-96-7), with molecular formula C12H22O7S and molecular weight 310.11 g/mol. IUPAC: 1,4-dibutoxy-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of Dibutyl sulfosuccinate
Property Insights of Dibutyl sulfosuccinate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl sulfosuccinate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl sulfosuccinate. Following Lipinski's Rule of Five, Dibutyl 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 Dibutyl sulfosuccinate?
The CAS number of Dibutyl sulfosuccinate is 120-96-7.
What is the molecular formula of Dibutyl sulfosuccinate?
The molecular formula of Dibutyl sulfosuccinate is C12H22O7S.
What is the molecular weight of Dibutyl sulfosuccinate?
The molecular weight of Dibutyl sulfosuccinate is 310.11 g/mol.
Where can I buy Dibutyl sulfosuccinate?
You can request a quote for Dibutyl sulfosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl sulfosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl sulfosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.