TL;DR: 1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea (CAS 1024379-15-4) is a chemical compound with molecular formula C25H23Br2N3O3 and molecular weight 571.0106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
Also Known As: 1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 3-(2,4-DIBROMOPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA, 3-(2,4-dibromophenyl)-1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, C25H23Br2N3O3
| Molecular Formula | C25H23Br2N3O3 |
| Molecular Weight | 571.0106 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 | 571.0106 Da |
| Heavy Atoms | 33 |
| Complexity | 686.0 |
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=C(C=C(C=C4)Br)Br)OC |
| InChIKey | PWSZXLPDHFXNBV-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]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-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea. Following Lipinski's Rule of Five, 1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]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-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is 1024379-15-4.
The molecular formula of 1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is C25H23Br2N3O3.
The molecular weight of 1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is 571.0106 g/mol.
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