![8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione structure](/static/products/1899/189998-40-1.webp)
8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione
TL;DR: 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione (CAS 189998-40-1) is a chemical compound with molecular formula C20H13N5O5 and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione
Also Known As: 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione, 5-Methyl-3-oxo-6,8-diphenyl-3lambda~5~-[1,2,5]oxadiazolo[3',4':4,5]pyrido[2,3-d]pyrimidine-4,7,9(5H,6H,8H)-trione
| Molecular Formula | C20H13N5O5 |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 0.6149 |
| Topological Polar Surface Area | 118.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.09167 |
| Heavy Atoms | 30 |
| Complexity | 1611.5997 |
Chemical Identifiers
| CAS Number | 189998-40-1 |
|---|---|
| SMILES | CN1C2=C(C3=NO[N+](=C3C1=O)[O-])C(=O)N(C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione (CAS 189998-40-1), with molecular formula C20H13N5O5 and molecular weight 403.09 g/mol. IUPAC: 8-methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione.
Chemical Property Profile of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione
Property Insights of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione
The XLogP value of 0.6149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione. The TPSA of 118.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione. Following Lipinski's Rule of Five, 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione has 0 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 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione?
The CAS number of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione is 189998-40-1.
What is the molecular formula of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione?
The molecular formula of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione is C20H13N5O5.
What is the molecular weight of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione?
The molecular weight of 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione is 403.09 g/mol.
Where can I buy 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione?
You can request a quote for 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-5-oxido-10,12-diphenyl-4-oxa-3,8,10,12-tetraza-5-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,5-triene-7,11,13-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.