Podophyllotoxin Impurity 5
TL;DR: Podophyllotoxin Impurity 5 (CAS 1174-97-6) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
Also Known As: Podophyllotoxin Impurity 5, Podophyllotoxin Impurity 3, 6,7-O,O-DEMETHYLENEPODOPHYLLOTOXIN, AE-641/11517471, N0001-009423
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 2.0917 |
| Topological Polar Surface Area | 114.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 944.38885 |
Chemical Identifiers
| CAS Number | 1174-97-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC(=C(C=C24)O)O)O |
Product Overview
Podophyllotoxin Impurity 5 (CAS 1174-97-6), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: (3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of Podophyllotoxin Impurity 5
Property Insights of Podophyllotoxin Impurity 5
The XLogP value of 2.0917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Podophyllotoxin Impurity 5. The TPSA of 114.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Podophyllotoxin Impurity 5. Following Lipinski's Rule of Five, Podophyllotoxin Impurity 5 has 3 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 Impurity 5?
The CAS number of Podophyllotoxin Impurity 5 is 1174-97-6.
What is the molecular formula of Podophyllotoxin Impurity 5?
The molecular formula of Podophyllotoxin Impurity 5 is C21H22O8.
What is the molecular weight of Podophyllotoxin Impurity 5?
The molecular weight of Podophyllotoxin Impurity 5 is 402.13 g/mol.
Where can I buy Podophyllotoxin Impurity 5?
You can request a quote for Podophyllotoxin Impurity 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Podophyllotoxin Impurity 5?
Yes, KEHONG BIO provides custom synthesis services for Podophyllotoxin Impurity 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.