![4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid structure](/static/products/862/862209-46-9.png)
4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid
TL;DR: 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid (CAS 862209-46-9) is a chemical compound with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-amino-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid
Also Known As: 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid, 4-(2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoic acid, F3225-3467, 4-[2-amino-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid
| Molecular Formula | C22H21N5O3 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 3.384 |
| Topological Polar Surface Area | 123.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.16443 |
| Heavy Atoms | 30 |
| Complexity | 1261.4891 |
Chemical Identifiers
| CAS Number | 862209-46-9 |
|---|---|
| SMILES | CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)O)N |
Product Overview
4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid (CAS 862209-46-9), with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol. IUPAC: 4-[2-amino-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid.
Chemical Property Profile of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid
Property Insights of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid
The XLogP value of 3.384 indicates that 4-[2-amino-3-(butylcarbamoyl)-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 123.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid has 3 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 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid?
The CAS number of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid is 862209-46-9.
What is the molecular formula of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid?
The molecular formula of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid is C22H21N5O3.
What is the molecular weight of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid?
The molecular weight of 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid is 403.16 g/mol.
Where can I buy 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid?
You can request a quote for 4-[2-amino-3-(butylcarbamoyl)-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 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.