1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
TL;DR: 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid (CAS 162215-94-3) is a chemical compound with molecular formula C16H30O7S and molecular weight 366.17123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-di(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: di(methyl-amyl) sulphosuccinate, 1,4-bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid, 1,2-bis(hexan-2-yloxycarbonyl)ethanesulfonic Acid, Butanedioic acid, sulfo-, 1,4-bis(1-methylpentyl) ester, 1,4-di(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H30O7S |
| Molecular Weight | 366.17123 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 366.17123 Da |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
| SMILES | CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)O |
| InChIKey | OACSODIYJOSDII-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Property Insights of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
The XLogP value of 3.3 indicates that 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid 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 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid. Following Lipinski's Rule of Five, 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid 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
What is the CAS number of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid?
The CAS number of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid is 162215-94-3.
What is the molecular formula of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid?
The molecular formula of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid is C16H30O7S.
What is the molecular weight of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid?
The molecular weight of 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid is 366.17123 g/mol.
Where can I buy 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid?
You can request a quote for 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for 1,4-Bis(hexan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.