Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)
TL;DR: Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2) (CAS 68797-49-9) is a chemical compound with molecular formula C10H16Na2O7S and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-(4-methylpentan-2-yloxy)-4-oxo-3-sulfonatobutanoate
Also Known As: Disodium 1-(1,3-dimethylbutyl) 2-sulphonatosuccinate, Butanedioic acid, sulfo-, 1-(1,3-dimethylbutyl) ester, disodium salt, disodium 4-[(4-methylpentan-2-yl)oxy]-4-oxo-3-sulfonatobutanoate, Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2), Disodium 1-(1,3-dimethylbutyl) 2-sulfonatosuccinate
| Molecular Formula | C10H16Na2O7S |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | -6.97 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.0412 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 68797-49-9 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | IAJZJSNXALVKIK-UHFFFAOYSA-L |
Product Overview
Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2) (CAS 68797-49-9), with molecular formula C10H16Na2O7S and molecular weight 326.04 g/mol. IUPAC: disodium;4-(4-methylpentan-2-yloxy)-4-oxo-3-sulfonatobutanoate.
Chemical Property Profile of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)
Property Insights of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)
The XLogP value of -6.97 indicates that Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) 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-(1,3-dimethylbutyl) ester, sodium salt (1:2). Following Lipinski's Rule of Five, Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) 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-(1,3-dimethylbutyl) ester, sodium salt (1:2)?
The CAS number of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2) is 68797-49-9.
What is the molecular formula of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)?
The molecular formula of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2) is C10H16Na2O7S.
What is the molecular weight of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)?
The molecular weight of Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2) is 326.04 g/mol.
Where can I buy Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2)?
You can request a quote for Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) 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-(1,3-dimethylbutyl) ester, sodium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-sulfo-, 1-(1,3-dimethylbutyl) ester, sodium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.