RefChem:571045
TL;DR: RefChem:571045 (CAS 68928-55-2) is a chemical compound with molecular formula C18H31NNa2O8S and molecular weight 467.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[2-(dodecanoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate
Also Known As: Disodium 4-(lauramido monoethanolamine) sulfosuccinate, Butanedioic acid, 2-sulfo-, 4-(2-((1-oxododecyl)amino)ethyl) ester, sodium salt (1:2), Disodium 4-(2-((1-oxododecyl)amino)ethyl) 2-sulphonatosuccinate, disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate, Butanedioic acid, 2-sulfo-, 4-[2-[(1-oxododecyl)amino]ethyl] ester, sodium salt (1:2)
| Molecular Formula | C18H31NNa2O8S |
|---|---|
| Molecular Weight | 467.16 g/mol |
| LogP | -5.37 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 467.1566 |
| Heavy Atoms | 30 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 68928-55-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | SBSQNUOQFFPIRK-UHFFFAOYSA-L |
Product Overview
RefChem:571045 (CAS 68928-55-2), with molecular formula C18H31NNa2O8S and molecular weight 467.16 g/mol. IUPAC: disodium;4-[2-(dodecanoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate.
Chemical Property Profile of RefChem:571045
Property Insights of RefChem:571045
The XLogP value of -5.37 indicates that RefChem:571045 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting RefChem:571045 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:571045 has 1 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 RefChem:571045?
The CAS number of RefChem:571045 is 68928-55-2.
What is the molecular formula of RefChem:571045?
The molecular formula of RefChem:571045 is C18H31NNa2O8S.
What is the molecular weight of RefChem:571045?
The molecular weight of RefChem:571045 is 467.16 g/mol.
Where can I buy RefChem:571045?
You can request a quote for RefChem:571045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:571045?
Yes, KEHONG BIO provides custom synthesis services for RefChem:571045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.