2-磺基琥珀酸1,4-二壬酯
TL;DR: 2-磺基琥珀酸1,4-二壬酯 (CAS 27501-55-9) is a chemical compound with molecular formula C22H42O7S and molecular weight 450.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-磺基琥珀酸1,4-二壬酯
1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: dinonylsulfosuccinate, 2-Sulfosuccinic acid 1,4-dinonyl ester, 1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid, 1,2-bis(nonoxycarbonyl)ethanesulfonic Acid, J2.856.794D
| Molecular Formula | C22H42O7S |
|---|---|
| Molecular Weight | 450.27 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 450.26514 |
| Heavy Atoms | 30 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 27501-55-9 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)O |
| InChIKey | IJBUWXMVBNUVME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-磺基琥珀酸1,4-二壬酯 (CAS 27501-55-9), with molecular formula C22H42O7S and molecular weight 450.27 g/mol. IUPAC: 1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of 2-磺基琥珀酸1,4-二壬酯
Property Insights of 2-磺基琥珀酸1,4-二壬酯
The XLogP value of 6.8 indicates that 2-磺基琥珀酸1,4-二壬酯 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 2-磺基琥珀酸1,4-二壬酯. Following Lipinski's Rule of Five, 2-磺基琥珀酸1,4-二壬酯 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-磺基琥珀酸1,4-二壬酯?
The CAS number of 2-磺基琥珀酸1,4-二壬酯 is 27501-55-9.
What is the molecular formula of 2-磺基琥珀酸1,4-二壬酯?
The molecular formula of 2-磺基琥珀酸1,4-二壬酯 is C22H42O7S.
What is the molecular weight of 2-磺基琥珀酸1,4-二壬酯?
The molecular weight of 2-磺基琥珀酸1,4-二壬酯 is 450.27 g/mol.
Where can I buy 2-磺基琥珀酸1,4-二壬酯?
You can request a quote for 2-磺基琥珀酸1,4-二壬酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-磺基琥珀酸1,4-二壬酯?
Yes, KEHONG BIO provides custom synthesis services for 2-磺基琥珀酸1,4-二壬酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.