Docusate
TL;DR: Docusate (CAS 10041-19-7) is a chemical compound with molecular formula C20H38O7S and molecular weight 422.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: DOCUSATE, Docusate hydrogen, Spolion 8, Diocto, Docusates
| Molecular Formula | C20H38O7S |
|---|---|
| Molecular Weight | 422.23 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 422.23383 |
| Heavy Atoms | 28 |
| Complexity | 539.0 |
| Melting Point | 153-157 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 10041-19-7 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O |
| InChIKey | HNSDLXPSAYFUHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Docusate (CAS 10041-19-7), with molecular formula C20H38O7S and molecular weight 422.23 g/mol. IUPAC: 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of Docusate
Property Insights of Docusate
The XLogP value of 5.1 indicates that Docusate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Docusate. Following Lipinski's Rule of Five, Docusate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Docusate?
The CAS number of Docusate is 10041-19-7.
What is the molecular formula of Docusate?
The molecular formula of Docusate is C20H38O7S.
What is the molecular weight of Docusate?
The molecular weight of Docusate is 422.23 g/mol.
Where can I buy Docusate?
You can request a quote for Docusate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docusate?
Yes, KEHONG BIO provides custom synthesis services for Docusate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.