![butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate structure](/static/products/577/577990-64-8.png)
butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate
TL;DR: butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate (CAS 577990-64-8) is a chemical compound with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[2-amino-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
Also Known As: butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate, butyl 4-[2-amino-3-(butan-2-ylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoate, butyl 4-[2-amino-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
| Molecular Formula | C26H29N5O3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 4.6411 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.22705 |
| Heavy Atoms | 34 |
| Complexity | 1344.3196 |
Chemical Identifiers
| CAS Number | 577990-64-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N |
Product Overview
butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate (CAS 577990-64-8), with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol. IUPAC: butyl 4-[2-amino-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate.
Chemical Property Profile of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate
Property Insights of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate
The XLogP value of 4.6411 indicates that butyl 4-(2-amino-3-(sec-butylcarbamoyl)-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 butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate. Following Lipinski's Rule of Five, butyl 4-(2-amino-3-(sec-butylcarbamoyl)-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 butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
The CAS number of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate is 577990-64-8.
What is the molecular formula of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
The molecular formula of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate is C26H29N5O3.
What is the molecular weight of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
The molecular weight of butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate is 459.23 g/mol.
Where can I buy butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
You can request a quote for butyl 4-(2-amino-3-(sec-butylcarbamoyl)-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 butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(2-amino-3-(sec-butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.