RefChem:1100036
TL;DR: RefChem:1100036 (CAS 41945-17-9) is a chemical compound with molecular formula C5H8Na2O7S4 and molecular weight 353.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3,3-bis(sulfonatosulfanylmethyl)oxetane
Also Known As: disodium 3,3-bis(sulfonatosulfanylmethyl)oxetane, Thiosulfuric acid (H2S2O3), S,S'-(3-oxetanylidenebis(methylene)) ester, disodium salt, Sodium hydrogen malate, ester with glycerol (3:1), Disodium S,S'-[oxetane-3,3-diylbis(methylene)] disulfurothioate, Thiosulfuric acid (H2S2O3), S,S'-[3-oxetanylidenebis(methylene)] ester, disodium salt
| Molecular Formula | C5H8Na2O7S4 |
|---|---|
| Molecular Weight | 353.89 g/mol |
| LogP | -6.6022 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.89484 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 41945-17-9 |
|---|---|
| SMILES | C1C(CO1)(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | QIVMQSUAVJFVQS-UHFFFAOYSA-L |
Product Overview
RefChem:1100036 (CAS 41945-17-9), with molecular formula C5H8Na2O7S4 and molecular weight 353.89 g/mol. IUPAC: disodium;3,3-bis(sulfonatosulfanylmethyl)oxetane.
Chemical Property Profile of RefChem:1100036
Property Insights of RefChem:1100036
The XLogP value of -6.6022 indicates that RefChem:1100036 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting RefChem:1100036 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1100036 has 0 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:1100036?
The CAS number of RefChem:1100036 is 41945-17-9.
What is the molecular formula of RefChem:1100036?
The molecular formula of RefChem:1100036 is C5H8Na2O7S4.
What is the molecular weight of RefChem:1100036?
The molecular weight of RefChem:1100036 is 353.89 g/mol.
Where can I buy RefChem:1100036?
You can request a quote for RefChem:1100036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100036?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.