3,4-Di-O-(methanesulfonyl)hexitol
TL;DR: 3,4-Di-O-(methanesulfonyl)hexitol (CAS 20706-72-3) is a chemical compound with molecular formula C8H18O10S2 and molecular weight 338.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl) methanesulfonate
Also Known As: NCIOpen2_009169, 3,4-bis-o-(methylsulfonyl)hexitol, 3,4-Di-O-(methanesulfonyl)hexitol, (1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl) methanesulfonate
| Molecular Formula | C8H18O10S2 |
|---|---|
| Molecular Weight | 338.03 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.03415 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 20706-72-3 |
|---|---|
| SMILES | CS(=O)(=O)OC(C(CO)O)C(C(CO)O)OS(=O)(=O)C |
| InChIKey | VGFGPWKIJVCELG-UHFFFAOYSA-N |
Product Overview
3,4-Di-O-(methanesulfonyl)hexitol (CAS 20706-72-3), with molecular formula C8H18O10S2 and molecular weight 338.03 g/mol. IUPAC: (1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl) methanesulfonate.
Chemical Property Profile of 3,4-Di-O-(methanesulfonyl)hexitol
Property Insights of 3,4-Di-O-(methanesulfonyl)hexitol
The XLogP value of -3.4 indicates that 3,4-Di-O-(methanesulfonyl)hexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting 3,4-Di-O-(methanesulfonyl)hexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4-Di-O-(methanesulfonyl)hexitol has 4 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 3,4-Di-O-(methanesulfonyl)hexitol?
The CAS number of 3,4-Di-O-(methanesulfonyl)hexitol is 20706-72-3.
What is the molecular formula of 3,4-Di-O-(methanesulfonyl)hexitol?
The molecular formula of 3,4-Di-O-(methanesulfonyl)hexitol is C8H18O10S2.
What is the molecular weight of 3,4-Di-O-(methanesulfonyl)hexitol?
The molecular weight of 3,4-Di-O-(methanesulfonyl)hexitol is 338.03 g/mol.
Where can I buy 3,4-Di-O-(methanesulfonyl)hexitol?
You can request a quote for 3,4-Di-O-(methanesulfonyl)hexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Di-O-(methanesulfonyl)hexitol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Di-O-(methanesulfonyl)hexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.