![(E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/861/861109-52-6.png)
(E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 861109-52-6) is a chemical compound with molecular formula C25H22N6O4 and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-prop-2-enyl-17-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-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)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(prop-2-en-1-yl)-11-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C25H22N6O4 |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 3.3884 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.17026 |
| Heavy Atoms | 35 |
| Complexity | 1660.1521 |
Chemical Identifiers
| CAS Number | 861109-52-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC=C |
Product Overview
(E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 861109-52-6), with molecular formula C25H22N6O4 and molecular weight 470.17 g/mol. IUPAC: 13-prop-2-enyl-17-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-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)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 3.3884 indicates that (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-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)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 861109-52-6.
What is the molecular formula of (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C25H22N6O4.
What is the molecular weight of (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 470.17 g/mol.
Where can I buy (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-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)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-allyl-11-((3,4,5-trimethoxybenzylidene)amino)-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.