1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol
TL;DR: 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol (CAS 7465-84-1) is a chemical compound with molecular formula C22H26O10S2 and molecular weight 514.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-methylphenyl)sulfonyloxymethyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
Also Known As: 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol, (8-{[(4-Methylbenzene-1-sulfonyl)oxy]methyl}tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)methyl 4-methylbenzene-1-sulfonate, [4-[(4-methylphenyl)sulfonyloxymethyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
| Molecular Formula | C22H26O10S2 |
|---|---|
| Molecular Weight | 514.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.09674 |
| Heavy Atoms | 34 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 7465-84-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(OCO3)COS(=O)(=O)C4=CC=C(C=C4)C)OCO2 |
| InChIKey | GDTIUDCPGLAYJW-UHFFFAOYSA-N |
Product Overview
1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol (CAS 7465-84-1), with molecular formula C22H26O10S2 and molecular weight 514.10 g/mol. IUPAC: [4-[(4-methylphenyl)sulfonyloxymethyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol
Property Insights of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol. The TPSA of 140.0 Ų indicates high polarity, suggesting 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol?
The CAS number of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol is 7465-84-1.
What is the molecular formula of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol?
The molecular formula of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol is C22H26O10S2.
What is the molecular weight of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol?
The molecular weight of 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol is 514.10 g/mol.
Where can I buy 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol?
You can request a quote for 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Di(p-toluenesulfonyl)-2,4:3,5-dimethylene-l-iditol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.