Deoxypodophyllotoxin
TL;DR: Deoxypodophyllotoxin (CAS 100348-38-7) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Deoxypodophyllotoxin, Anthricin, Silicicolin, Desoxypodophyllotoxin, Hernandion
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 100348-38-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O |
| InChIKey | ZGLXUQQMLLIKAN-SVIJTADQSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deoxypodophyllotoxin (CAS 100348-38-7), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
Chemical Property Profile of Deoxypodophyllotoxin
Property Insights of Deoxypodophyllotoxin
The XLogP value of 3.1 indicates that Deoxypodophyllotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxypodophyllotoxin. Following Lipinski's Rule of Five, Deoxypodophyllotoxin has 0 hydrogen bond donor(s) and 7 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 Deoxypodophyllotoxin?
The CAS number of Deoxypodophyllotoxin is 100348-38-7.
What is the molecular formula of Deoxypodophyllotoxin?
The molecular formula of Deoxypodophyllotoxin is C22H22O7.
What is the molecular weight of Deoxypodophyllotoxin?
The molecular weight of Deoxypodophyllotoxin is 398.14 g/mol.
Where can I buy Deoxypodophyllotoxin?
You can request a quote for Deoxypodophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxypodophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for Deoxypodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.