Picropodophyllin, 4'-demethyl-B-D-glucoside
TL;DR: Picropodophyllin, 4'-demethyl-B-D-glucoside (CAS 7598-48-3) is a chemical compound with molecular formula C27H30O13 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Lignan P, Compound NP-008103, 4'-Demthylpodophyllotoxin beta-D-glucoside, PICROPODOPHYLLIN, 4'-DEMETHYL-B-D-GLUCOSIDE, (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
| Molecular Formula | C27H30O13 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 562.16864 |
| Heavy Atoms | 40 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 7598-48-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O |
| InChIKey | FOVRGQUEGRCWPD-UHFFFAOYSA-N |
Product Overview
Picropodophyllin, 4'-demethyl-B-D-glucoside (CAS 7598-48-3), with molecular formula C27H30O13 and molecular weight 562.17 g/mol. IUPAC: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of Picropodophyllin, 4'-demethyl-B-D-glucoside
Property Insights of Picropodophyllin, 4'-demethyl-B-D-glucoside
The XLogP value of -0.2 indicates that Picropodophyllin, 4'-demethyl-B-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting Picropodophyllin, 4'-demethyl-B-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Picropodophyllin, 4'-demethyl-B-D-glucoside has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Picropodophyllin, 4'-demethyl-B-D-glucoside?
The CAS number of Picropodophyllin, 4'-demethyl-B-D-glucoside is 7598-48-3.
What is the molecular formula of Picropodophyllin, 4'-demethyl-B-D-glucoside?
The molecular formula of Picropodophyllin, 4'-demethyl-B-D-glucoside is C27H30O13.
What is the molecular weight of Picropodophyllin, 4'-demethyl-B-D-glucoside?
The molecular weight of Picropodophyllin, 4'-demethyl-B-D-glucoside is 562.17 g/mol.
Where can I buy Picropodophyllin, 4'-demethyl-B-D-glucoside?
You can request a quote for Picropodophyllin, 4'-demethyl-B-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picropodophyllin, 4'-demethyl-B-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Picropodophyllin, 4'-demethyl-B-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.