Chelidonine, 5-oxide
TL;DR: Chelidonine, 5-oxide (CAS 76786-86-2) is a chemical compound with molecular formula C20H19NO6 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methyl-12-oxido-5,7,17,19-tetraoxa-12-azoniahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-2,4(8),9,14,16(20),21-hexaen-24-ol
Also Known As: Chelidonine N-oxide, Chelidonine, 5-oxide, N-Tlenku chelidoniny, N-Tlenku chelidoniny [Polish], 5-Methyl-5-oxo-4b,5,6,11b,12,13-hexahydro-2H,9H-5lambda~5~-[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridin-12-ol
| Molecular Formula | C20H19NO6 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 2.3439 |
| Topological Polar Surface Area | 80.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 369.12125 |
| Heavy Atoms | 27 |
| Complexity | 971.4297 |
Chemical Identifiers
| CAS Number | 76786-86-2 |
|---|---|
| SMILES | C[N+]1(CC2=CC3=C(C=C2C4C1C5=CC6=C(C=C5CC4O)OCO6)OCO3)[O-] |
Product Overview
Chelidonine, 5-oxide (CAS 76786-86-2), with molecular formula C20H19NO6 and molecular weight 369.12 g/mol. IUPAC: 12-methyl-12-oxido-5,7,17,19-tetraoxa-12-azoniahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-2,4(8),9,14,16(20),21-hexaen-24-ol.
Chemical Property Profile of Chelidonine, 5-oxide
Property Insights of Chelidonine, 5-oxide
The XLogP value of 2.3439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chelidonine, 5-oxide. The TPSA of 80.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Chelidonine, 5-oxide. Following Lipinski's Rule of Five, Chelidonine, 5-oxide has 1 hydrogen bond donor(s) and 6 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 Chelidonine, 5-oxide?
The CAS number of Chelidonine, 5-oxide is 76786-86-2.
What is the molecular formula of Chelidonine, 5-oxide?
The molecular formula of Chelidonine, 5-oxide is C20H19NO6.
What is the molecular weight of Chelidonine, 5-oxide?
The molecular weight of Chelidonine, 5-oxide is 369.12 g/mol.
Where can I buy Chelidonine, 5-oxide?
You can request a quote for Chelidonine, 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chelidonine, 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for Chelidonine, 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.