Deoxypodophyllotoxin
TL;DR: Deoxypodophyllotoxin (CAS 1212463-68-7) is a chemical compound with molecular formula C21H20O7 and molecular weight 384.1209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Deoxypodophyllotoxin, 4'-Demethyldeoxypodophyllotoxin, POLYGALA MACRADENIA B628836K043, 5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one, 5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Technical Specifications
| Molecular Formula | C21H20O7 |
| Molecular Weight | 384.1209 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.1209 Da |
| Heavy Atoms | 28 |
| Complexity | 583.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O |
| InChIKey | RFDMNXDDRXVJTM-UHFFFAOYSA-N |
Chemical Property Profile of Deoxypodophyllotoxin
Property Insights of Deoxypodophyllotoxin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxypodophyllotoxin. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxypodophyllotoxin. Following Lipinski's Rule of Five, Deoxypodophyllotoxin has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Deoxypodophyllotoxin?
The CAS number of Deoxypodophyllotoxin is 1212463-68-7.
What is the molecular formula of Deoxypodophyllotoxin?
The molecular formula of Deoxypodophyllotoxin is C21H20O7.
What is the molecular weight of Deoxypodophyllotoxin?
The molecular weight of Deoxypodophyllotoxin is 384.1209 g/mol.
Where can I buy Deoxypodophyllotoxin?
You can request a quote for Deoxypodophyllotoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Deoxypodophyllotoxin?
Yes, CoreyChem provides custom synthesis services for Deoxypodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.