TL;DR: 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one (CAS 147440-31-1) is a chemical compound with molecular formula C16H14Cl2N2O2 and molecular weight 336.04324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one
Also Known As: 2-Pyridinone deriv., 2-Pyridinone derivative 56, 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one, 3-[2-(4,7-Dichloro-2-benzoxazolyl)ethyl]-5,6-dimethyl-2(1H)-pyridinone, 3-[2-(4,7-Dichlorobenzoxazol-2-yl)ethyl]-5,6-dimethylpyridin-2(1H)-one
| Molecular Formula | C16H14Cl2N2O2 |
| Molecular Weight | 336.04324 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.04324 Da |
| Heavy Atoms | 22 |
| Complexity | 532.0 |
| SMILES | CC1=C(NC(=O)C(=C1)CCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C |
| InChIKey | YTGFGCMQIQOFQF-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one 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 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one is 147440-31-1.
The molecular formula of 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one is C16H14Cl2N2O2.
The molecular weight of 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5,6-dimethyl-1H-pyridin-2-one is 336.04324 g/mol.
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