Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside
TL;DR: Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside (CAS 71676-30-7) is a chemical compound with molecular formula C19H20O5S and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aR,6S,7R,8R,8aS)-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Also Known As: Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside, PHENYL 4,6-O-BENZYLIDENE-1-THI, (2R,4aR,6S,7R,8R,8aS)-2-Phenyl-6-(phenylthio)hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol, Phenyl 4,6-O-Benzylidene-1-thio-, A-D-glucopyranoside
| Molecular Formula | C19H20O5S |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 2.3396 |
| Topological Polar Surface Area | 68.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.10315 |
| Heavy Atoms | 25 |
| Complexity | 680.7285 |
Chemical Identifiers
| CAS Number | 71676-30-7 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=CC=C3)O)O)O[C@@H](O1)C4=CC=CC=C4 |
Product Overview
Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside (CAS 71676-30-7), with molecular formula C19H20O5S and molecular weight 360.10 g/mol. IUPAC: (2R,4aR,6S,7R,8R,8aS)-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
Chemical Property Profile of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside
Property Insights of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside
The XLogP value of 2.3396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside. The TPSA of 68.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside. Following Lipinski's Rule of Five, Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside has 2 hydrogen bond donor(s) and 6 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 Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside?
The CAS number of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside is 71676-30-7.
What is the molecular formula of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside?
The molecular formula of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside is C19H20O5S.
What is the molecular weight of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside?
The molecular weight of Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside is 360.10 g/mol.
Where can I buy Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside?
You can request a quote for Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4,6-O-Benzylidene-1-thio-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.