(-)-4'-Demethylepipodophyllotoxin
TL;DR: (-)-4'-Demethylepipodophyllotoxin (CAS 6559-91-7) 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.
(5S,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'-Demethylepipodophyllotoxin, DMEP, etoposide aglycone, 4'-DMEP, DEPD
| 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 | 6559-91-7 |
|---|---|
| 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-JHQYFNNDSA-N |
Product Overview
(-)-4'-Demethylepipodophyllotoxin (CAS 6559-91-7), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: (5S,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'-Demethylepipodophyllotoxin
Property Insights of (-)-4'-Demethylepipodophyllotoxin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-4'-Demethylepipodophyllotoxin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-4'-Demethylepipodophyllotoxin. Following Lipinski's Rule of Five, (-)-4'-Demethylepipodophyllotoxin 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'-Demethylepipodophyllotoxin?
The CAS number of (-)-4'-Demethylepipodophyllotoxin is 6559-91-7.
What is the molecular formula of (-)-4'-Demethylepipodophyllotoxin?
The molecular formula of (-)-4'-Demethylepipodophyllotoxin is C21H20O8.
What is the molecular weight of (-)-4'-Demethylepipodophyllotoxin?
The molecular weight of (-)-4'-Demethylepipodophyllotoxin is 400.12 g/mol.
Where can I buy (-)-4'-Demethylepipodophyllotoxin?
You can request a quote for (-)-4'-Demethylepipodophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-4'-Demethylepipodophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for (-)-4'-Demethylepipodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.