TL;DR: BRD-A15134479-001-01-7 (CAS 1042723-48-7) is a chemical compound with molecular formula C30H26N6O4S and molecular weight 566.17365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: BRD-A15134479-001-01-7, F6548-3729, N-[(4-methoxyphenyl)methyl]-3-{3-oxo-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-2-yl}propanamide, N-[(4-methoxyphenyl)methyl]-3-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide, N-(4-methoxybenzyl)-3-(3-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
| Molecular Formula | C30H26N6O4S |
| Molecular Weight | 566.17365 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.17365 Da |
| Heavy Atoms | 41 |
| Complexity | 1260.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=O)N6C=CC=CC6=N5 |
| InChIKey | JELAEVUOWYYWAT-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A15134479-001-01-7. The TPSA of 141.0 Ų indicates high polarity, suggesting BRD-A15134479-001-01-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-A15134479-001-01-7 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BRD-A15134479-001-01-7 is 1042723-48-7.
The molecular formula of BRD-A15134479-001-01-7 is C30H26N6O4S.
The molecular weight of BRD-A15134479-001-01-7 is 566.17365 g/mol.
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