RefChem:77125
TL;DR: RefChem:77125 (CAS 67874-62-8) is a chemical compound with molecular formula C10H16Na2O10S2 and molecular weight 405.99802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropoxy)but-2-ynoxy]propane-1-sulfonate
Also Known As: Disodium 3,3'-(2-butyne-1,4-diylbis(oxy))bis(2-hydroxypropanesulphonate), K803, 1-Propanesulfonic acid, 3,3'-(2-butynylenedioxy)bis(2-hydroxy-, disodium salt, disodium 3,3'-[but-2-yne-1,4-diylbis(oxy)]bis(2-hydroxypropane-1-sulfonate), I14-4728
Technical Specifications
| Molecular Formula | C10H16Na2O10S2 |
| Molecular Weight | 405.99802 g/mol |
| XLogP | -9.16 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.99802 Da |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
| SMILES | C(C#CCOCC(CS(=O)(=O)[O-])O)OCC(CS(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | VTHDORBZEOUGAZ-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:77125
Property Insights of RefChem:77125
The XLogP value of -9.16 indicates that RefChem:77125 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting RefChem:77125 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77125 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:77125?
The CAS number of RefChem:77125 is 67874-62-8.
What is the molecular formula of RefChem:77125?
The molecular formula of RefChem:77125 is C10H16Na2O10S2.
What is the molecular weight of RefChem:77125?
The molecular weight of RefChem:77125 is 405.99802 g/mol.
Where can I buy RefChem:77125?
You can request a quote for RefChem:77125 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:77125?
Yes, CoreyChem provides custom synthesis services for RefChem:77125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.