Butanedioic acid, methylene-, bis(3-sulfopropyl) ester
TL;DR: Butanedioic acid, methylene-, bis(3-sulfopropyl) ester (CAS 117520-67-9) is a chemical compound with molecular formula C11H18O10S2 and molecular weight 374.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-sulfopropoxycarbonyl)but-3-enoyloxy]propane-1-sulfonic acid
Also Known As: bis(3-sulfopropyl) itaconate, Itaconic acid bis(3-sulfopropyl) ester, Butanedioic acid, methylene-, bis(3-sulfopropyl) ester, J1.526.747J, 1,4-Bis(3-sulfopropyl) 2-methylenebutanedioate
| Molecular Formula | C11H18O10S2 |
|---|---|
| Molecular Weight | 374.03 g/mol |
| LogP | -0.4251 |
| Topological Polar Surface Area | 161.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 374.03415 |
| Heavy Atoms | 23 |
| Complexity | 631.7184 |
Chemical Identifiers
| CAS Number | 117520-67-9 |
|---|---|
| SMILES | C=C(CC(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O |
Product Overview
Butanedioic acid, methylene-, bis(3-sulfopropyl) ester (CAS 117520-67-9), with molecular formula C11H18O10S2 and molecular weight 374.03 g/mol. IUPAC: 3-[3-(3-sulfopropoxycarbonyl)but-3-enoyloxy]propane-1-sulfonic acid.
Chemical Property Profile of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester
Property Insights of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester
The XLogP value of -0.4251 indicates that Butanedioic acid, methylene-, bis(3-sulfopropyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.34 Ų indicates high polarity, suggesting Butanedioic acid, methylene-, bis(3-sulfopropyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanedioic acid, methylene-, bis(3-sulfopropyl) ester has 2 hydrogen bond donor(s) and 8 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, methylene-, bis(3-sulfopropyl) ester?
The CAS number of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester is 117520-67-9.
What is the molecular formula of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester?
The molecular formula of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester is C11H18O10S2.
What is the molecular weight of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester?
The molecular weight of Butanedioic acid, methylene-, bis(3-sulfopropyl) ester is 374.03 g/mol.
Where can I buy Butanedioic acid, methylene-, bis(3-sulfopropyl) ester?
You can request a quote for Butanedioic acid, methylene-, bis(3-sulfopropyl) 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, methylene-, bis(3-sulfopropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, methylene-, bis(3-sulfopropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.