Butanedioic acid, 2-sulfo-, 1,4-didecyl ester
TL;DR: Butanedioic acid, 2-sulfo-, 1,4-didecyl ester (CAS 4601-79-0) is a chemical compound with molecular formula C24H46O7S and molecular weight 478.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-didecoxy-1,4-dioxobutane-2-sulfonic acid
Also Known As: didecyl sulfosuccinate, butanedioic acid, 2-sulfo-, 1,4-didecyl ester, 2-Sulfosuccinic acid 1,4-didecyl ester, 1,2-bis(decoxycarbonyl)ethanesulfonic Acid, 1,4-didecoxy-1,4-dioxobutane-2-sulfonic acid
| Molecular Formula | C24H46O7S |
|---|---|
| Molecular Weight | 478.30 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 478.29642 |
| Heavy Atoms | 32 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 4601-79-0 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)O |
| InChIKey | HWJHLQSSWFHRQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-sulfo-, 1,4-didecyl ester (CAS 4601-79-0), with molecular formula C24H46O7S and molecular weight 478.30 g/mol. IUPAC: 1,4-didecoxy-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester
Property Insights of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester
The XLogP value of 7.9 indicates that Butanedioic acid, 2-sulfo-, 1,4-didecyl ester 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 Butanedioic acid, 2-sulfo-, 1,4-didecyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 2-sulfo-, 1,4-didecyl ester 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 Butanedioic acid, 2-sulfo-, 1,4-didecyl ester?
The CAS number of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester is 4601-79-0.
What is the molecular formula of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester?
The molecular formula of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester is C24H46O7S.
What is the molecular weight of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester?
The molecular weight of Butanedioic acid, 2-sulfo-, 1,4-didecyl ester is 478.30 g/mol.
Where can I buy Butanedioic acid, 2-sulfo-, 1,4-didecyl ester?
You can request a quote for Butanedioic acid, 2-sulfo-, 1,4-didecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-sulfo-, 1,4-didecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-sulfo-, 1,4-didecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.