4'-Demethylpodophyllotoxone
TL;DR: 4'-Demethylpodophyllotoxone (CAS 93780-84-8) is a chemical compound with molecular formula C21H18O8 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
Also Known As: 4'-Demethylpodophyllotoxone, 4-DeMethpodopyllotoxone, HY-N12033, (S)-(+)-2-benzylpent-4-enoic acid, (5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
| Molecular Formula | C21H18O8 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.10016 |
| Heavy Atoms | 29 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 93780-84-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
| InChIKey | OJDRVIHXHQXFSH-RZAIGCCYSA-N |
Product Overview
4'-Demethylpodophyllotoxone (CAS 93780-84-8), with molecular formula C21H18O8 and molecular weight 398.10 g/mol. IUPAC: (5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione.
Chemical Property Profile of 4'-Demethylpodophyllotoxone
Property Insights of 4'-Demethylpodophyllotoxone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Demethylpodophyllotoxone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Demethylpodophyllotoxone. Following Lipinski's Rule of Five, 4'-Demethylpodophyllotoxone 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 4'-Demethylpodophyllotoxone?
The CAS number of 4'-Demethylpodophyllotoxone is 93780-84-8.
What is the molecular formula of 4'-Demethylpodophyllotoxone?
The molecular formula of 4'-Demethylpodophyllotoxone is C21H18O8.
What is the molecular weight of 4'-Demethylpodophyllotoxone?
The molecular weight of 4'-Demethylpodophyllotoxone is 398.10 g/mol.
Where can I buy 4'-Demethylpodophyllotoxone?
You can request a quote for 4'-Demethylpodophyllotoxone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Demethylpodophyllotoxone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Demethylpodophyllotoxone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.