![(E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/860/860792-72-9.png)
(E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 860792-72-9) is a chemical compound with molecular formula C24H22N6O4 and molecular weight 458.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-13-(2-methoxyethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C24H22N6O4 |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 2.8402 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.17026 |
| Heavy Atoms | 34 |
| Complexity | 1604.812 |
Chemical Identifiers
| CAS Number | 860792-72-9 |
|---|---|
| SMILES | COCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2/N=C/C5=C(C(=CC=C5)OC)OC |
Product Overview
(E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 860792-72-9), with molecular formula C24H22N6O4 and molecular weight 458.17 g/mol. IUPAC: 17-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-13-(2-methoxyethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 2.8402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 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 (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 860792-72-9.
What is the molecular formula of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C24H22N6O4.
What is the molecular weight of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 458.17 g/mol.
Where can I buy (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-11-((2,3-dimethoxybenzylidene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.