1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol
TL;DR: 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol (CAS 7465-82-9) is a chemical compound with molecular formula C14H20O8S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
Also Known As: 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol, [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
| Molecular Formula | C14H20O8S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0879 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 7465-82-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(OCO2)C(CO)O)O |
| InChIKey | DOYYVFJVUMKKHG-UHFFFAOYSA-N |
Product Overview
1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol (CAS 7465-82-9), with molecular formula C14H20O8S and molecular weight 348.09 g/mol. IUPAC: [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol
Property Insights of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol
The XLogP value of -0.1 indicates that 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol. Following Lipinski's Rule of Five, 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol has 3 hydrogen bond donor(s) and 8 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-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol?
The CAS number of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol is 7465-82-9.
What is the molecular formula of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol?
The molecular formula of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol is C14H20O8S.
What is the molecular weight of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol?
The molecular weight of 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol is 348.09 g/mol.
Where can I buy 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol?
You can request a quote for 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(4-Methylbenzene-1-sulfonyl)-2,4-O-methylidenehexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.