TL;DR: hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 573937-41-4) is a chemical compound with molecular formula C25H28N4O2 and molecular weight 416.22122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 2-amino-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, hexyl 2-amino-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C25H28N4O2 |
| Molecular Weight | 416.22122 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.22122 Da |
| Heavy Atoms | 31 |
| Complexity | 580.0 |
| SMILES | CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N |
| InChIKey | NVCIQJQYZLFVNL-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, hexyl 2-amino-1-(4-methylbenzyl)-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.
The CAS number of hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 573937-41-4.
The molecular formula of hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C25H28N4O2.
The molecular weight of hexyl 2-amino-1-(4-methylbenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 416.22122 g/mol.
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