TL;DR: BRN 0823353 (CAS 65647-11-2) is a chemical compound with molecular formula C19H23N3O and molecular weight 309.1841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(dimethylamino)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one
Also Known As: 5-24-02-00480 (Beilstein Handbook Reference), 5H-1,4-Benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-(2-dimethylaminoethyl)-1-phenyl-, 4-(2-Dimethylaminoethyl)-1-phenyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 1,2,3,4-tetrahydro-4-1-phenyl-5h-1,4-benzodiazepin-5-one, 1,2,3,4-Tetrahydro-4- -1-phenyl-5H-1,4-benzodiazepin-5-one
| Molecular Formula | C19H23N3O |
| Molecular Weight | 309.1841 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1841 Da |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
| SMILES | CN(C)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3 |
| InChIKey | NVEYRGKNUKKVBD-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0823353. With a topological polar surface area (TPSA) of 26.8 Ų, BRN 0823353 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0823353 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BRN 0823353 is 65647-11-2.
The molecular formula of BRN 0823353 is C19H23N3O.
The molecular weight of BRN 0823353 is 309.1841 g/mol.
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