鬼臼毒素
TL;DR: 鬼臼毒素 (CAS 518-28-5) is a chemical compound with molecular formula C22H22O8 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鬼臼毒素
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: podophyllotoxin, Podofilox, Condylox, Condyline, Wartec
| Molecular Formula | C22H22O8 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13147 |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
| Melting Point | 228 |
| Solubility | 100 |
| Vapor Pressure | 8.3X10-15 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 518-28-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O |
| InChIKey | YJGVMLPVUAXIQN-XVVDYKMHSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
鬼臼毒素 (CAS 518-28-5), with molecular formula C22H22O8 and molecular weight 414.13 g/mol. IUPAC: (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 鬼臼毒素
Property Insights of 鬼臼毒素
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 鬼臼毒素. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 鬼臼毒素. Following Lipinski's Rule of Five, 鬼臼毒素 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 鬼臼毒素?
The CAS number of 鬼臼毒素 is 518-28-5.
What is the molecular formula of 鬼臼毒素?
The molecular formula of 鬼臼毒素 is C22H22O8.
What is the molecular weight of 鬼臼毒素?
The molecular weight of 鬼臼毒素 is 414.13 g/mol.
Where can I buy 鬼臼毒素?
You can request a quote for 鬼臼毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鬼臼毒素?
Yes, KEHONG BIO provides custom synthesis services for 鬼臼毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.