TL;DR: LU 3-017 (CAS 10589-00-1) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1-one;hydrochloride
Also Known As: LU 3-017, Phthalan, 1-(3-dimethylaminopropyl)-3-oxo-1-phenyl-, hydrochloride, 3(1H)-Phthalanone, 1-(3-dimethylaminopropyl)-1-phenyl-, hydrochloride, 3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1(3h)-onehydrochloride(1:1), 3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1-one hydrochloride
| Molecular Formula | C19H22ClNO2 |
| Molecular Weight | 331.1339 g/mol |
| XLogP | 3.86 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1339 Da |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
| SMILES | CN(C)CCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3.Cl |
| InChIKey | PLEZOOJZXNJFCF-UHFFFAOYSA-N |
The XLogP value of 3.86 indicates that LU 3-017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, LU 3-017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 3-017 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of LU 3-017 is 10589-00-1.
The molecular formula of LU 3-017 is C19H22ClNO2.
The molecular weight of LU 3-017 is 331.1339 g/mol.
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