TL;DR: 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one (CAS 1042134-65-5) is a chemical compound with molecular formula C23H27N3O4S and molecular weight 441.17224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-methylphenyl)methyl]-7-morpholin-4-ylsulfonyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
Also Known As: 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one, 10W-0237, 5-[(4-methylphenyl)methyl]-7-morpholin-4-ylsulfonyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one, 5-[(4-methylphenyl)methyl]-7-(morpholine-4-sulfonyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-4-one, 5-[(4-methylphenyl)methyl]-7-(morpholine-4-sulfonyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoxalin-4-one
| Molecular Formula | C23H27N3O4S |
| Molecular Weight | 441.17224 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.17224 Da |
| Heavy Atoms | 31 |
| Complexity | 755.0 |
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5C2=O |
| InChIKey | SYHWVWWMKAQUHU-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one. Following Lipinski's Rule of Five, 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one has 0 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 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 1042134-65-5.
The molecular formula of 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is C23H27N3O4S.
The molecular weight of 5-(4-methylbenzyl)-7-(morpholinosulfonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one is 441.17224 g/mol.
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