![ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate structure](/static/products/797/797767-38-5.png)
ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate
TL;DR: ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate (CAS 797767-38-5) is a chemical compound with molecular formula C28H25N5O3 and molecular weight 479.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]benzoate
Also Known As: ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate, ethyl 4-(2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamido)benzoate, ethyl 4-[[2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]benzoate
| Molecular Formula | C28H25N5O3 |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 5.20174 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.19574 |
| Heavy Atoms | 36 |
| Complexity | 1617.2172 |
Chemical Identifiers
| CAS Number | 797767-38-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC(=C5)C)C)N |
Product Overview
ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate (CAS 797767-38-5), with molecular formula C28H25N5O3 and molecular weight 479.20 g/mol. IUPAC: ethyl 4-[[2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate
Property Insights of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate
The XLogP value of 5.20174 indicates that ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate?
The CAS number of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate is 797767-38-5.
What is the molecular formula of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate?
The molecular formula of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate is C28H25N5O3.
What is the molecular weight of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate?
The molecular weight of ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate is 479.20 g/mol.
Where can I buy ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate?
You can request a quote for ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.