TL;DR: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide (CAS 1052406-03-7) is a chemical compound with molecular formula C19H18Br2ClN3O3 and molecular weight 528.94037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate;hydrobromide
Also Known As: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide, [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate;hydrobromide, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl 4-aminobutanoate hydrobromide, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl 4-aminobutanoate hydrobromide
| Molecular Formula | C19H18Br2ClN3O3 |
| Molecular Weight | 528.94037 g/mol |
| XLogP | 4.0781 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.94037 Da |
| Heavy Atoms | 28 |
| Complexity | 589.0 |
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCN)Cl.Br |
| InChIKey | UBSHRRXBQVFHLS-UHFFFAOYSA-N |
The XLogP value of 4.0781 indicates that [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide. Following Lipinski's Rule of Five, [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide is 1052406-03-7.
The molecular formula of [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide is C19H18Br2ClN3O3.
The molecular weight of [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate hydrobromide is 528.94037 g/mol.
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