TL;DR: 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one (CAS 1009549-45-4) is a chemical compound with molecular formula C16H22N4O3S and molecular weight 350.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-methylpiperazin-1-yl)sulfonyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
Also Known As: 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one, 7-[(4-methylpiperazin-1-yl)sulfonyl]-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one, 10W-0307, 7-(4-methylpiperazin-1-yl)sulfonyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one, Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-7-[(4-methyl-1-piperazinyl)sulfonyl]-
| Molecular Formula | C16H22N4O3S |
| Molecular Weight | 350.14127 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.14127 Da |
| Heavy Atoms | 24 |
| Complexity | 597.0 |
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3 |
| InChIKey | RXZFQYDLKCWRLU-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one. Following Lipinski's Rule of Five, 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 1009549-45-4.
The molecular formula of 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is C16H22N4O3S.
The molecular weight of 7-[(4-methylpiperazino)sulfonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 350.14127 g/mol.
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