![(E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/861/861109-63-9.png)
(E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 861109-63-9) is a chemical compound with molecular formula C21H15N7O and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-prop-2-enyl-17-[(E)-pyridin-4-ylmethylideneamino]-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-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(prop-2-en-1-yl)-11-{[(E)-pyridin-4-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-Allyl-11-{[1-pyridin-4-yl-meth-(E)-ylidene]-amino}-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren- 4-one
| Molecular Formula | C21H15N7O |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.7576 |
| Topological Polar Surface Area | 90.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.13382 |
| Heavy Atoms | 29 |
| Complexity | 1465.2584 |
Chemical Identifiers
| CAS Number | 861109-63-9 |
|---|---|
| SMILES | C=CCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=NC=C5 |
Product Overview
(E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 861109-63-9), with molecular formula C21H15N7O and molecular weight 381.13 g/mol. IUPAC: 13-prop-2-enyl-17-[(E)-pyridin-4-ylmethylideneamino]-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-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 2.7576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. The TPSA of 90.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-allyl-11-((pyridin-4-ylmethylene)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-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one 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 (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 861109-63-9.
What is the molecular formula of (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C21H15N7O.
What is the molecular weight of (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of (E)-3-allyl-11-((pyridin-4-ylmethylene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 381.13 g/mol.
Where can I buy (E)-3-allyl-11-((pyridin-4-ylmethylene)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-((pyridin-4-ylmethylene)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-((pyridin-4-ylmethylene)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-((pyridin-4-ylmethylene)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.