TL;DR: 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA (CAS 1024336-96-6) is a chemical compound with molecular formula C25H23BrClN3O3 and molecular weight 527.06116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromo-2-chlorophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
Also Known As: 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA, 1-(4-bromo-2-chlorophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 1-(4-bromo-2-chloro-phenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 3-(4-bromo-2-chloro-phenyl)-1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 3-(4-bromo-2-chlorophenyl)-1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}urea
| Molecular Formula | C25H23BrClN3O3 |
| Molecular Weight | 527.06116 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.06116 Da |
| Heavy Atoms | 33 |
| Complexity | 688.0 |
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=C(C=C(C=C4)Br)Cl)OC |
| InChIKey | WCKQYZOJVQEFMQ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA. Following Lipinski's Rule of Five, 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA is 1024336-96-6.
The molecular formula of 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA is C25H23BrClN3O3.
The molecular weight of 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-BROMO-2-CHLOROPHENYL)UREA is 527.06116 g/mol.
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