Podophyllotoxone
TL;DR: Podophyllotoxone (CAS 477-49-6) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
Also Known As: Podophyllotoxone, Podophyllotoxinone, (-)-podophyllotoxon, Podophyllotoxin EP Impurity C, HY-N2415
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 477-49-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
| InChIKey | ISCQYPPCSYRZOT-BKTGTZMESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Podophyllotoxone (CAS 477-49-6), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione.
Chemical Property Profile of Podophyllotoxone
Property Insights of Podophyllotoxone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Podophyllotoxone. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Podophyllotoxone. Following Lipinski's Rule of Five, Podophyllotoxone has 0 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 Podophyllotoxone?
The CAS number of Podophyllotoxone is 477-49-6.
What is the molecular formula of Podophyllotoxone?
The molecular formula of Podophyllotoxone is C22H20O8.
What is the molecular weight of Podophyllotoxone?
The molecular weight of Podophyllotoxone is 412.12 g/mol.
Where can I buy Podophyllotoxone?
You can request a quote for Podophyllotoxone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podophyllotoxone?
Yes, KEHONG BIO provides custom synthesis services for Podophyllotoxone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.