TL;DR: 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one (CAS 1173688-78-2) is a chemical compound with molecular formula C22H24N4O2 and molecular weight 376.1899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4-one
Also Known As: 3-[1-(4-benzylpiperazin-1-yl)-1-oxo-propan-2-yl]quinazolin-4-one, (S)-3-(1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl)quinazolin-4(3H)-one, 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4-one, 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one
| Molecular Formula | C22H24N4O2 |
| Molecular Weight | 376.1899 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1899 Da |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
| SMILES | C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O |
| InChIKey | NLCBLVPZUMNMSM-KRWDZBQOSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 56.2 Ų, 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one is 1173688-78-2.
The molecular formula of 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one is C22H24N4O2.
The molecular weight of 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one is 376.1899 g/mol.
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