Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester
TL;DR: Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester (CAS 88477-65-0) is a chemical compound with molecular formula C16H30O7S and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(4-methylpentoxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: diisohexyl sulfosuccinate, Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester, 1,2-bis(4-methylpentoxycarbonyl)ethanesulfonic Acid, 1,4-bis(4-methylpentoxy)-1,4-dioxobutane-2-sulfonic acid, 1,4-bis[(4-methylpentyl)oxy]-1,4-dioxobutane-2-sulfonic acid
| Molecular Formula | C16H30O7S |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 366.17123 |
| Heavy Atoms | 24 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 88477-65-0 |
|---|---|
| SMILES | CC(C)CCCOC(=O)CC(C(=O)OCCCC(C)C)S(=O)(=O)O |
| InChIKey | SLJNCDYIHFDEJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester (CAS 88477-65-0), with molecular formula C16H30O7S and molecular weight 366.17 g/mol. IUPAC: 1,4-bis(4-methylpentoxy)-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester
Property Insights of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester
The XLogP value of 3.0 indicates that Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) 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, sulfo-, 1,4-bis(4-methylpentyl) ester. Following Lipinski's Rule of Five, Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester 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
Frequently Asked Questions
What is the CAS number of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester?
The CAS number of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester is 88477-65-0.
What is the molecular formula of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester?
The molecular formula of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester is C16H30O7S.
What is the molecular weight of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester?
The molecular weight of Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester is 366.17 g/mol.
Where can I buy Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester?
You can request a quote for Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) 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, sulfo-, 1,4-bis(4-methylpentyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, sulfo-, 1,4-bis(4-methylpentyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.