RefChem:77118
TL;DR: RefChem:77118 (CAS 68958-55-4) is a chemical compound with molecular formula C14H28Na2O9S2 and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-hydroxy-2-[1-(6-methylheptoxy)-3-sulfonatopropan-2-yl]oxypropane-1-sulfonate
Also Known As: 1-Sulfo-3-isooctyloxy-2-propyl 1-sulfo-2-hydroxy-2-propyl ether disodium salt, 1-Propanesulfonic acid, 2-hydroxy-2-(1-((isooctyloxy)methyl)-2-sulfoethoxy)-, disodium salt, disodium 2-hydroxy-2-({1-[(6-methylheptyl)oxy]-3-sulfonatopropan-2-yl}oxy)propane-1-sulfonate, 1-Propanesulfonic acid, 2-hydroxy-2-(1-((isooctyloxy)methyl)-2-sulfoethoxy)-, sodium salt (1:2), 1-Propanesulfonic acid, 2-hydroxy-2-[1-[(isooctyloxy)methyl]-2-sulfoethoxy]-, disodium salt
| Molecular Formula | C14H28Na2O9S2 |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | -5.59 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 450.09702 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 68958-55-4 |
|---|---|
| SMILES | CC(C)CCCCCOCC(CS(=O)(=O)[O-])OC(C)(CS(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | RHXDAZXQFXTVFK-UHFFFAOYSA-L |
Product Overview
RefChem:77118 (CAS 68958-55-4), with molecular formula C14H28Na2O9S2 and molecular weight 450.10 g/mol. IUPAC: disodium;2-hydroxy-2-[1-(6-methylheptoxy)-3-sulfonatopropan-2-yl]oxypropane-1-sulfonate.
Chemical Property Profile of RefChem:77118
Property Insights of RefChem:77118
The XLogP value of -5.59 indicates that RefChem:77118 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting RefChem:77118 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77118 has 1 hydrogen bond donor(s) and 9 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:77118?
The CAS number of RefChem:77118 is 68958-55-4.
What is the molecular formula of RefChem:77118?
The molecular formula of RefChem:77118 is C14H28Na2O9S2.
What is the molecular weight of RefChem:77118?
The molecular weight of RefChem:77118 is 450.10 g/mol.
Where can I buy RefChem:77118?
You can request a quote for RefChem:77118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77118?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.