Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
TL;DR: Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- (CAS 86402-41-7) is a chemical compound with molecular formula C16H22O9 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Also Known As: Glucoacetosyringone, 4-O-Succinyl diginose, 4-Acetyl-2,6-dimethoxyphenyl hexopyranoside, 4-Acetyl-2,6-dimethoxyphenyl beta-D-glucopyranoside, Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
| Molecular Formula | C16H22O9 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.12637 |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 86402-41-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| InChIKey | NUZMLNQKLRRREC-SSZWKKLZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- (CAS 86402-41-7), with molecular formula C16H22O9 and molecular weight 358.13 g/mol. IUPAC: 1-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone.
Chemical Property Profile of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
Property Insights of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-
The XLogP value of -0.9 indicates that Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- has 4 hydrogen bond donor(s) and 9 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 Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-?
The CAS number of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- is 86402-41-7.
What is the molecular formula of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-?
The molecular formula of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- is C16H22O9.
What is the molecular weight of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-?
The molecular weight of Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- is 358.13 g/mol.
Where can I buy Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-?
You can request a quote for Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.