Podophyllotoxin, 3'-demethyl
TL;DR: Podophyllotoxin, 3'-demethyl (CAS 54747-66-9) 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.
5-hydroxy-9-(3-hydroxy-4,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: PODOPHYLLOTOXIN, 3'-DEMETHYL, 5-hydroxy-9-(3-hydroxy-4,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, 9-Hydroxy-5-(3-hydroxy-4,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
| 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 | 628.0 |
Chemical Identifiers
| CAS Number | 54747-66-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)O)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
| InChIKey | KKHOARWEVJJBTK-UHFFFAOYSA-N |
Product Overview
Podophyllotoxin, 3'-demethyl (CAS 54747-66-9), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: 5-hydroxy-9-(3-hydroxy-4,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of Podophyllotoxin, 3'-demethyl
Property Insights of Podophyllotoxin, 3'-demethyl
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Podophyllotoxin, 3'-demethyl. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Podophyllotoxin, 3'-demethyl. Following Lipinski's Rule of Five, Podophyllotoxin, 3'-demethyl 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 Podophyllotoxin, 3'-demethyl?
The CAS number of Podophyllotoxin, 3'-demethyl is 54747-66-9.
What is the molecular formula of Podophyllotoxin, 3'-demethyl?
The molecular formula of Podophyllotoxin, 3'-demethyl is C21H20O8.
What is the molecular weight of Podophyllotoxin, 3'-demethyl?
The molecular weight of Podophyllotoxin, 3'-demethyl is 400.12 g/mol.
Where can I buy Podophyllotoxin, 3'-demethyl?
You can request a quote for Podophyllotoxin, 3'-demethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podophyllotoxin, 3'-demethyl?
Yes, KEHONG BIO provides custom synthesis services for Podophyllotoxin, 3'-demethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.