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allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 488707-47-7) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, AO-022/43452785, prop-2-enyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate, prop-2-en-1-yl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.5159 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 1279.3488 |
Chemical Identifiers
| CAS Number | 488707-47-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC=C)N)OC |
Product Overview
allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 488707-47-7), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: prop-2-enyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 3.5159 indicates that allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.49 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate has 1 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 allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 488707-47-7.
What is the molecular formula of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C22H20N4O4.
What is the molecular weight of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 404.15 g/mol.
Where can I buy allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.