Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)
TL;DR: Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) (CAS 68133-71-1) is a chemical compound with molecular formula C17H30Na2O7S and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-oxo-3-sulfonato-4-tridecoxybutanoate
Also Known As: 3-(4-isobutylphenyl)-2-methylpropanal, disodium 4-oxo-3-sulfonato-4-(tridecyloxy)butanoate, Butanedioic acid, sulfo-, 1-tridecyl ester, disodium salt, Butanedioic acid, sulfo-, monotridecyl ester, disodium salt, disodium 4-oxo-3-sulfonato-4-tridecoxybutanoate
| Molecular Formula | C17H30Na2O7S |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 424.15076 |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 68133-71-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | QEYSCNOGYNCDLA-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) (CAS 68133-71-1), with molecular formula C17H30Na2O7S and molecular weight 424.15 g/mol. IUPAC: disodium;4-oxo-3-sulfonato-4-tridecoxybutanoate.
Chemical Property Profile of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)
Property Insights of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)
The XLogP value of -4.1 indicates that Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2). Following Lipinski's Rule of Five, Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) has 0 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 Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)?
The CAS number of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) is 68133-71-1.
What is the molecular formula of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)?
The molecular formula of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) is C17H30Na2O7S.
What is the molecular weight of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)?
The molecular weight of Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) is 424.15 g/mol.
Where can I buy Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)?
You can request a quote for Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) 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-tridecyl ester, sodium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.