![tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/836/836651-72-0.png)
tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 836651-72-0) is a chemical compound with molecular formula C22H21BrN4O2 and molecular weight 452.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H21BrN4O2 |
|---|---|
| Molecular Weight | 452.08 g/mol |
| LogP | 5.18212 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.08478 |
| Heavy Atoms | 29 |
| Complexity | 1271.5137 |
Chemical Identifiers
| CAS Number | 836651-72-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC(C)(C)C)N)Br |
Product Overview
tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 836651-72-0), with molecular formula C22H21BrN4O2 and molecular weight 452.08 g/mol. IUPAC: tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 5.18212 indicates that tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 836651-72-0.
What is the molecular formula of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C22H21BrN4O2.
What is the molecular weight of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 452.08 g/mol.
Where can I buy tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-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 tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-amino-1-(4-bromo-3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.