Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide
TL;DR: Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide (CAS 73972-60-8) is a chemical compound with molecular formula C30H34O14S4 and molecular weight 746.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,6R,7R,8S,8aS)-6-[[[(4aR,6R,7R,8S,8aS)-8-hydroxy-2-phenyl-7-sulfanylcarbonyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyldisulfanyl]methoxy]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethanethioic S-acid
Also Known As: Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide, Glucopyranoside, 1,1'-dithiodimethylbis(4,6-O-benzylidene-2-O-thiocarbonyl-, alpha-D-, Pyrano(3,2-d)-m-dioxin-8-ol, 6,6'-dithiodimethylenedioxybis(2-phenyl-7-thiocarboxy-, sugar deriv., .alpha.-D-Glucopyranoside, dithiobis(methylene) bis[4,6-O-(phenylmethylene)-, 2,2'-bis(carbonothioate), [({[4,6-O-Benzylidene-2-O-(sulfanylcarbonyl)-alpha-D-glucopyranosyl]oxy}methyl)disulfanyl]methyl 4,6-O-benzylidene-2-O-(sulfanylcarbonyl)-alpha-D-glucopyranoside
| Molecular Formula | C30H34O14S4 |
|---|---|
| Molecular Weight | 746.08 g/mol |
| LogP | 3.586 |
| Topological Polar Surface Area | 166.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 746.0831 |
| Heavy Atoms | 48 |
| Complexity | 1245.9016 |
Chemical Identifiers
| CAS Number | 73972-60-8 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCSSCO[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)O)OC(=O)S)OC(=O)S)O)OC(O1)C6=CC=CC=C6 |
Product Overview
Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide (CAS 73972-60-8), with molecular formula C30H34O14S4 and molecular weight 746.08 g/mol. IUPAC: [(4aR,6R,7R,8S,8aS)-6-[[[(4aR,6R,7R,8S,8aS)-8-hydroxy-2-phenyl-7-sulfanylcarbonyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyldisulfanyl]methoxy]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxymethanethioic S-acid.
Chemical Property Profile of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide
Property Insights of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide
The XLogP value of 3.586 indicates that Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.9 Ų indicates high polarity, suggesting Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide?
The CAS number of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide is 73972-60-8.
What is the molecular formula of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide?
The molecular formula of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide is C30H34O14S4.
What is the molecular weight of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide?
The molecular weight of Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide is 746.08 g/mol.
Where can I buy Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide?
You can request a quote for Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide?
Yes, KEHONG BIO provides custom synthesis services for Bis(methyl 4,6-O-benzylidene-2-o-thiocarbonyl-alpha-D glucopyranoside)disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.