1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol
TL;DR: 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol (CAS 28296-02-8) is a chemical compound with molecular formula C20H26O10S2 and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5-tetrahydroxy-6-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate
Also Known As: 1,6-Ditosyl-D-mannitol, 1,6-Bis(p-toluenesulfonyl)-D-mannitol, D-MANNITOL, 1,6-BIS(p-TOLUENESULFONATE), 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol, D-MANNITOL,1,6-BIS(4-METHYLBENZENESULFONATE)
| Molecular Formula | C20H26O10S2 |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 490.09674 |
| Heavy Atoms | 32 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 28296-02-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(COS(=O)(=O)C2=CC=C(C=C2)C)O)O)O)O |
| InChIKey | UVFYILYWNYVSNY-UHFFFAOYSA-N |
Product Overview
1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol (CAS 28296-02-8), with molecular formula C20H26O10S2 and molecular weight 490.10 g/mol. IUPAC: [2,3,4,5-tetrahydroxy-6-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol
Property Insights of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol. The TPSA of 184.0 Ų indicates high polarity, suggesting 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)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 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol?
The CAS number of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol is 28296-02-8.
What is the molecular formula of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol?
The molecular formula of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol is C20H26O10S2.
What is the molecular weight of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol?
The molecular weight of 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol is 490.10 g/mol.
Where can I buy 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol?
You can request a quote for 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Bis-O-(4-methylbenzene-1-sulfonyl)hexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.