TL;DR: BAS 05346986 (CAS 514793-11-4) is a chemical compound with molecular formula C26H27NO5 and molecular weight 433.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-dimethoxyphenyl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: BAS 05346986, 2-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline, F1274-0172, (3,4-dimethoxyphenyl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone, (6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)(3,4-dimethoxyphenyl)methanone
| Molecular Formula | C26H27NO5 |
| Molecular Weight | 433.18893 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.18893 Da |
| Heavy Atoms | 32 |
| Complexity | 609.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC)OC |
| InChIKey | XHCOGXJZUKGNBX-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that BAS 05346986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, BAS 05346986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05346986 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 05346986 is 514793-11-4.
The molecular formula of BAS 05346986 is C26H27NO5.
The molecular weight of BAS 05346986 is 433.18893 g/mol.
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