6,7-Demethylenedeoxypodophyllotoxin
TL;DR: 6,7-Demethylenedeoxypodophyllotoxin (CAS 1173-42-8) is a chemical compound with molecular formula C21H22O7 and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
Also Known As: Podophyllotoxin Impurity 1, Demethylenedeoxypodophyllotoxin, 6,7-Demethylenedeoxypodophyllotoxin, 6,7-Demethylenedesoxypodophyllotoxin, RD-4-6283
| Molecular Formula | C21H22O7 |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 2.6008 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.13657 |
| Heavy Atoms | 28 |
| Complexity | 911.58673 |
Chemical Identifiers
| CAS Number | 1173-42-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC(=C(C=C24)O)O)COC3=O |
Product Overview
6,7-Demethylenedeoxypodophyllotoxin (CAS 1173-42-8), with molecular formula C21H22O7 and molecular weight 386.14 g/mol. IUPAC: (3aR,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one.
Chemical Property Profile of 6,7-Demethylenedeoxypodophyllotoxin
Property Insights of 6,7-Demethylenedeoxypodophyllotoxin
The XLogP value of 2.6008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Demethylenedeoxypodophyllotoxin. The TPSA of 94.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Demethylenedeoxypodophyllotoxin. Following Lipinski's Rule of Five, 6,7-Demethylenedeoxypodophyllotoxin has 2 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 6,7-Demethylenedeoxypodophyllotoxin?
The CAS number of 6,7-Demethylenedeoxypodophyllotoxin is 1173-42-8.
What is the molecular formula of 6,7-Demethylenedeoxypodophyllotoxin?
The molecular formula of 6,7-Demethylenedeoxypodophyllotoxin is C21H22O7.
What is the molecular weight of 6,7-Demethylenedeoxypodophyllotoxin?
The molecular weight of 6,7-Demethylenedeoxypodophyllotoxin is 386.14 g/mol.
Where can I buy 6,7-Demethylenedeoxypodophyllotoxin?
You can request a quote for 6,7-Demethylenedeoxypodophyllotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Demethylenedeoxypodophyllotoxin?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Demethylenedeoxypodophyllotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.