4'-Demethylpodophyllotoxin
TL;DR: 4'-Demethylpodophyllotoxin (CAS 40505-27-9) is a chemical compound with molecular formula C21H20O8 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: 4'-Demethylpodophyllotoxin, 4-Demethylpodophyllotoxin, Etoposide EP Impurity L, DEPD, 4'-O-demethylpodophyllotoxin
| Molecular Formula | C21H20O8 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.1158 |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 40505-27-9 |
|---|---|
| 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 |
| InChIKey | YVCVYCSAAZQOJI-BTINSWFASA-N |
Product Overview
4'-Demethylpodophyllotoxin (CAS 40505-27-9), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: (5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 4'-Demethylpodophyllotoxin
Property Insights of 4'-Demethylpodophyllotoxin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Demethylpodophyllotoxin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Demethylpodophyllotoxin. Following Lipinski's Rule of Five, 4'-Demethylpodophyllotoxin has 2 hydrogen bond donor(s) and 8 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 4'-Demethylpodophyllotoxin?
The CAS number of 4'-Demethylpodophyllotoxin is 40505-27-9.
What is the molecular formula of 4'-Demethylpodophyllotoxin?
The molecular formula of 4'-Demethylpodophyllotoxin is C21H20O8.
What is the molecular weight of 4'-Demethylpodophyllotoxin?
The molecular weight of 4'-Demethylpodophyllotoxin is 400.12 g/mol.
Where can I buy 4'-Demethylpodophyllotoxin?
You can request a quote for 4'-Demethylpodophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Demethylpodophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for 4'-Demethylpodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.