TL;DR: hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 578721-17-2) is a chemical compound with molecular formula C23H25N5O4S and molecular weight 467.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, hexyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C23H25N5O4S |
| Molecular Weight | 467.16272 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.16272 Da |
| Heavy Atoms | 33 |
| Complexity | 767.0 |
| SMILES | CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N)N |
| InChIKey | RBHKJRYDDZLERD-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 578721-17-2.
The molecular formula of hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C23H25N5O4S.
The molecular weight of hexyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 467.16272 g/mol.
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