TL;DR: 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one (CAS 143708-16-1) is a chemical compound with molecular formula C15H13Cl2N3O2 and molecular weight 337.03848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one
Also Known As: Pyridinone deriv., 3-Aminopyridin-2(1H)-one analogue 64, 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one, 3-{[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl]amino}-4,6-dimethyl-1,2-dihydropyridin-2-one, 3-[(4,7-Dichloro-2-Benzoxazolylmethyl)amino]-4,6-dimethylpyridin-2(1H)-one
| Molecular Formula | C15H13Cl2N3O2 |
| Molecular Weight | 337.03848 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.03848 Da |
| Heavy Atoms | 22 |
| Complexity | 535.0 |
| SMILES | CC1=CC(=C(C(=O)N1)NCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C |
| InChIKey | WLRKCGBECWLZJJ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one. Following Lipinski's Rule of Five, 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one 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 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one is 143708-16-1.
The molecular formula of 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one is C15H13Cl2N3O2.
The molecular weight of 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one is 337.03848 g/mol.
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