TL;DR: CID 18741 (CAS 3332-91-0) is a chemical compound with molecular formula C23H27ClN4O and molecular weight 410.18735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-1,3-dihydro-1-[3-(4-methyl-1-piperazinyl)propyl]-5-phenyl-2H-1,4-benzodiazepin-2-one, 7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 7-chloro-1-[3-(4-methylpiperazin-1-yl)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C23H27ClN4O |
| Molecular Weight | 410.18735 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.18735 Da |
| Heavy Atoms | 29 |
| Complexity | 583.0 |
| SMILES | CN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4 |
| InChIKey | FAGZTPDJOLQCBZ-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that CID 18741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, CID 18741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 18741 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 CID 18741 is 3332-91-0.
The molecular formula of CID 18741 is C23H27ClN4O.
The molecular weight of CID 18741 is 410.18735 g/mol.
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