Methyl 2-benzoyl-4,6-benzylidene-d-glucoside
TL;DR: Methyl 2-benzoyl-4,6-benzylidene-d-glucoside (CAS 28642-64-0) is a chemical compound with molecular formula C21H22O7 and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate
Also Known As: Methyl 2-benzoyl-4,6-benzylidene-d-glucoside, Methyl 2-O-benzoyl-4,6-O-benzylidene-a-D-glucopyranoside, Methyl 2-O-Benzoyl-4,6-di-O-benzylidene- -D-glucopyranoside, Methyl 2-O-Benzoyl-4,6-di-O-benzylidene-a-D-glucopyranoside, (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate
| Molecular Formula | C21H22O7 |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.13657 |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 28642-64-0 |
|---|---|
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4 |
| InChIKey | WHKUKOCUXSRSAR-UHFFFAOYSA-N |
Product Overview
Methyl 2-benzoyl-4,6-benzylidene-d-glucoside (CAS 28642-64-0), with molecular formula C21H22O7 and molecular weight 386.14 g/mol. IUPAC: (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate.
Chemical Property Profile of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside
Property Insights of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzoyl-4,6-benzylidene-d-glucoside. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzoyl-4,6-benzylidene-d-glucoside. Following Lipinski's Rule of Five, Methyl 2-benzoyl-4,6-benzylidene-d-glucoside has 1 hydrogen bond donor(s) and 7 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 Methyl 2-benzoyl-4,6-benzylidene-d-glucoside?
The CAS number of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside is 28642-64-0.
What is the molecular formula of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside?
The molecular formula of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside is C21H22O7.
What is the molecular weight of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside?
The molecular weight of Methyl 2-benzoyl-4,6-benzylidene-d-glucoside is 386.14 g/mol.
Where can I buy Methyl 2-benzoyl-4,6-benzylidene-d-glucoside?
You can request a quote for Methyl 2-benzoyl-4,6-benzylidene-d-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzoyl-4,6-benzylidene-d-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzoyl-4,6-benzylidene-d-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.