Diphyllin acetyl apioside
TL;DR: Diphyllin acetyl apioside (CAS 124952-36-9) is a chemical compound with molecular formula C28H26O12 and molecular weight 554.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate
Also Known As: Diphyllin acetyl apioside, KST-1A0946, (2S,4R)-4-Acetylthio-1-t-butoxycarbonylpyrrolidine-2-methanol, 4-O-(5''-O-Acetyl)-(beta-D-apiofuranosyl)-6,7-dimethoxy-1-(3',4'-methylenedioxyphenyl)-3-hydroxymethylnaphthalene-2-carboxylic acid lactone, [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate
| Molecular Formula | C28H26O12 |
|---|---|
| Molecular Weight | 554.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.14246 |
| Heavy Atoms | 40 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 124952-36-9 |
|---|---|
| SMILES | CC(=O)OC[C@]1(COC([C@@H]1O)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6)O |
| InChIKey | UOOSHUGMIURKRC-KXPDKNHFSA-N |
Product Overview
Diphyllin acetyl apioside (CAS 124952-36-9), with molecular formula C28H26O12 and molecular weight 554.14 g/mol. IUPAC: [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate.
Chemical Property Profile of Diphyllin acetyl apioside
Property Insights of Diphyllin acetyl apioside
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphyllin acetyl apioside. The TPSA of 148.0 Ų indicates high polarity, suggesting Diphyllin acetyl apioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diphyllin acetyl apioside has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphyllin acetyl apioside?
The CAS number of Diphyllin acetyl apioside is 124952-36-9.
What is the molecular formula of Diphyllin acetyl apioside?
The molecular formula of Diphyllin acetyl apioside is C28H26O12.
What is the molecular weight of Diphyllin acetyl apioside?
The molecular weight of Diphyllin acetyl apioside is 554.14 g/mol.
Where can I buy Diphyllin acetyl apioside?
You can request a quote for Diphyllin acetyl apioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphyllin acetyl apioside?
Yes, KEHONG BIO provides custom synthesis services for Diphyllin acetyl apioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.