4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside
TL;DR: 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside (CAS 11031-29-1) is a chemical compound with molecular formula C34H34O13 and molecular weight 650.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR,9R)-5-[[(6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: SP-G Iib, KST-1A5466, 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside, 4,6-O-Benzylidene-beta-D-glucopyranoside-4'-demethylpodophyllotoxin, Podophyllotoxin, 4'-demethyl-, 4,6-O-benzylidene-beta-D-glucopyranoside
| Molecular Formula | C34H34O13 |
|---|---|
| Molecular Weight | 650.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 650.19995 |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 11031-29-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7C(O6)COC(O7)C8=CC=CC=C8)O)O |
| InChIKey | RHRMTILDFUYBOD-ZHPHRDAVSA-N |
Product Overview
4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside (CAS 11031-29-1), with molecular formula C34H34O13 and molecular weight 650.20 g/mol. IUPAC: (5R,5aR,8aR,9R)-5-[[(6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside
Property Insights of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside. The TPSA of 161.0 Ų indicates high polarity, suggesting 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside has 3 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 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside?
The CAS number of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside is 11031-29-1.
What is the molecular formula of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside?
The molecular formula of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside is C34H34O13.
What is the molecular weight of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside?
The molecular weight of 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside is 650.20 g/mol.
Where can I buy 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside?
You can request a quote for 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside?
Yes, KEHONG BIO provides custom synthesis services for 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.