NCIOpen2_008505
TL;DR: NCIOpen2_008505 (CAS 4211-07-8) is a chemical compound with molecular formula C6H12O9S3 and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
Also Known As: NCIOpen2_008505, KST-1A0296, (5-(((Methylsulfonyl)oxy)methyl)-2-oxido-1,3,2-dioxathiolan-4-yl)methyl methanesulfonate, [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate, (2-Oxo-1,3,2lambda~4~-dioxathiolane-4,5-diyl)bis(methylene) dimethanesulfonate
| Molecular Formula | C6H12O9S3 |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.96436 |
| Heavy Atoms | 18 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 4211-07-8 |
|---|---|
| SMILES | CS(=O)(=O)OCC1C(OS(=O)O1)COS(=O)(=O)C |
| InChIKey | NUIVNAIWDLKFPS-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008505 (CAS 4211-07-8), with molecular formula C6H12O9S3 and molecular weight 323.96 g/mol. IUPAC: [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate.
Chemical Property Profile of NCIOpen2_008505
Property Insights of NCIOpen2_008505
The XLogP value of -1.1 indicates that NCIOpen2_008505 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting NCIOpen2_008505 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCIOpen2_008505 has 0 hydrogen bond donor(s) and 10 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 NCIOpen2_008505?
The CAS number of NCIOpen2_008505 is 4211-07-8.
What is the molecular formula of NCIOpen2_008505?
The molecular formula of NCIOpen2_008505 is C6H12O9S3.
What is the molecular weight of NCIOpen2_008505?
The molecular weight of NCIOpen2_008505 is 323.96 g/mol.
Where can I buy NCIOpen2_008505?
You can request a quote for NCIOpen2_008505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008505?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.