![(E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide structure](/static/products/840/840472-99-3.png)
(E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
TL;DR: (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 840472-99-3) is a chemical compound with molecular formula C26H19FN6O3 and molecular weight 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-(2-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-(2-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide, 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-{[(E)-(2-fluorophenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C26H19FN6O3 |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 3.8467 |
| Topological Polar Surface Area | 116.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.15027 |
| Heavy Atoms | 36 |
| Complexity | 1680.0024 |
Chemical Identifiers
| CAS Number | 840472-99-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)/N=C/C6=CC=CC=C6F)N |
Product Overview
(E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 840472-99-3), with molecular formula C26H19FN6O3 and molecular weight 482.15 g/mol. IUPAC: 2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-(2-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
Chemical Property Profile of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Property Insights of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
The XLogP value of 3.8467 indicates that (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide. Following Lipinski's Rule of Five, (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide has 2 hydrogen bond donor(s) and 7 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)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The CAS number of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 840472-99-3.
What is the molecular formula of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The molecular formula of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is C26H19FN6O3.
What is the molecular weight of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The molecular weight of (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 482.15 g/mol.
Where can I buy (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
You can request a quote for (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-((2-fluorobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.