podophyllotoxin
TL;DR: podophyllotoxin (CAS 4354-76-1) is a chemical compound with molecular formula C22H22O8 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: podophyllotoxin, Picropodophyllin, Podofilox, Picropodophyllotoxin, Condyline
| Molecular Formula | C22H22O8 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13147 |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 4354-76-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
| InChIKey | YJGVMLPVUAXIQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
podophyllotoxin (CAS 4354-76-1), with molecular formula C22H22O8 and molecular weight 414.13 g/mol. IUPAC: 5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of podophyllotoxin
Property Insights of podophyllotoxin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for podophyllotoxin. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for podophyllotoxin. Following Lipinski's Rule of Five, podophyllotoxin has 1 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 podophyllotoxin?
The CAS number of podophyllotoxin is 4354-76-1.
What is the molecular formula of podophyllotoxin?
The molecular formula of podophyllotoxin is C22H22O8.
What is the molecular weight of podophyllotoxin?
The molecular weight of podophyllotoxin is 414.13 g/mol.
Where can I buy podophyllotoxin?
You can request a quote for podophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for podophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for podophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.