![ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate structure](/static/products/836/836629-60-8.png)
ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate
TL;DR: ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate (CAS 836629-60-8) is a chemical compound with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-amino-3-(2-methylpropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
Also Known As: ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate, ethyl 3-[2-amino-3-(2-methylpropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate, ethyl 3-{2-amino-3-[(2-methylpropyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoate
| Molecular Formula | C24H25N5O3 |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 3.7184 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.19574 |
| Heavy Atoms | 32 |
| Complexity | 1326.2166 |
Chemical Identifiers
| CAS Number | 836629-60-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC(C)C)N |
Product Overview
ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate (CAS 836629-60-8), with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol. IUPAC: ethyl 3-[2-amino-3-(2-methylpropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate.
Chemical Property Profile of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate
Property Insights of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate
The XLogP value of 3.7184 indicates that ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)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 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate has 2 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 ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
The CAS number of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate is 836629-60-8.
What is the molecular formula of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
The molecular formula of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate is C24H25N5O3.
What is the molecular weight of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
The molecular weight of ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate is 431.20 g/mol.
Where can I buy ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
You can request a quote for ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2-amino-3-(isobutylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.