![3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid structure](/static/products/799/799786-60-0.png)
3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid
TL;DR: 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid (CAS 799786-60-0) is a chemical compound with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-3-propan-2-yloxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid
Also Known As: 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid, 3-(2-amino-3-propan-2-yloxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid, 3-{2-amino-3-[(propan-2-yloxy)carbonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoic acid
| Molecular Formula | C21H18N4O4 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 3.4193 |
| Topological Polar Surface Area | 120.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.1328 |
| Heavy Atoms | 29 |
| Complexity | 1276.6472 |
Chemical Identifiers
| CAS Number | 799786-60-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC(=C4)C(=O)O)N |
Product Overview
3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid (CAS 799786-60-0), with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol. IUPAC: 3-(2-amino-3-propan-2-yloxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid.
Chemical Property Profile of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid
Property Insights of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid
The XLogP value of 3.4193 indicates that 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid 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 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid?
The CAS number of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid is 799786-60-0.
What is the molecular formula of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid?
The molecular formula of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid is C21H18N4O4.
What is the molecular weight of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid?
The molecular weight of 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid is 390.13 g/mol.
Where can I buy 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid?
You can request a quote for 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-amino-3-(isopropoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.