![methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside structure](/static/products/883/883-87-4.png)
methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside
TL;DR: methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside (CAS 883-87-4) is a chemical compound with molecular formula C28H30O7S2 and molecular weight 542.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate
Also Known As: methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside, (7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate, Methyl 2-S-benzyl-4,6-O-benzylidene-3-O-(4-methylbenzene-1-sulfonyl)-2-thiohexopyranoside
| Molecular Formula | C28H30O7S2 |
|---|---|
| Molecular Weight | 542.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.1433 |
| Heavy Atoms | 37 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 883-87-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(COC(O3)C4=CC=CC=C4)OC(C2SCC5=CC=CC=C5)OC |
| InChIKey | FYWDMDRVHQOLBL-UHFFFAOYSA-N |
Product Overview
methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside (CAS 883-87-4), with molecular formula C28H30O7S2 and molecular weight 542.14 g/mol. IUPAC: (7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside
Property Insights of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside
The XLogP value of 4.7 indicates that methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside. Following Lipinski's Rule of Five, methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside?
The CAS number of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside is 883-87-4.
What is the molecular formula of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside?
The molecular formula of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside is C28H30O7S2.
What is the molecular weight of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside?
The molecular weight of methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside is 542.14 g/mol.
Where can I buy methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside?
You can request a quote for methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-s-benzyl-4,6-o-benzylidene-3-o-[(4-methylphenyl)sulfonyl]-2-thiohexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.