TL;DR: 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(1-naphthyl)urea (CAS 1024165-54-5) is a chemical compound with molecular formula C29H27N3O3 and molecular weight 465.20523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea
Also Known As: 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(1-NAPHTHYL)UREA, 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-naphthalen-1-ylurea, 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(1-naphthyl)urea, 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-naphthalen-1-yl-urea, 1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}-3-(naphthalen-1-yl)urea
| Molecular Formula | C29H27N3O3 |
| Molecular Weight | 465.20523 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.20523 Da |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC=CC5=CC=CC=C54)OC |
| InChIKey | RXJKHZRGPSZJOS-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(1-naphthyl)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-(1-naphthyl)urea. Following Lipinski's Rule of Five, 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(1-naphthyl)urea has 2 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 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(1-naphthyl)urea is 1024165-54-5.
The molecular formula of 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(1-naphthyl)urea is C29H27N3O3.
The molecular weight of 1-(4-((6,7-Dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(1-naphthyl)urea is 465.20523 g/mol.
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