![tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/836/836638-58-5.png)
tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 836638-58-5) is a chemical compound with molecular formula C21H19FN4O2 and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, tert-butyl 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C21H19FN4O2 |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 4.2503 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.1492 |
| Heavy Atoms | 28 |
| Complexity | 1224.5067 |
Chemical Identifiers
| CAS Number | 836638-58-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)F)N |
Product Overview
tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 836638-58-5), with molecular formula C21H19FN4O2 and molecular weight 378.15 g/mol. IUPAC: tert-butyl 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 4.2503 indicates that tert-butyl 2-amino-1-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 836638-58-5.
What is the molecular formula of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C21H19FN4O2.
What is the molecular weight of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 378.15 g/mol.
Where can I buy tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for tert-butyl 2-amino-1-(3-fluorophenyl)-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-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-amino-1-(3-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.