TL;DR: AN-329/41028172 (CAS 1351443-29-2) is a chemical compound with molecular formula C15H12N4O3 and molecular weight 296.09094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-1-[(E)-(2-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
Also Known As: AN-329/41028172, 4,6-dimethyl-1-[(E)-(2-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile, 4,6-dimethyl-1-{[(1E)-(2-nitrophenyl)methylene]amino}-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-({2-nitrobenzylidene}amino)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 4,6-dimethyl-1-[(2-nitrobenzylidene)amino]-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
| Molecular Formula | C15H12N4O3 |
| Molecular Weight | 296.09094 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09094 Da |
| Heavy Atoms | 22 |
| Complexity | 633.0 |
| SMILES | CC1=CC(=C(C(=O)N1/N=C/C2=CC=CC=C2[N+](=O)[O-])C#N)C |
| InChIKey | YCLSDFHMYZXHLK-RQZCQDPDSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/41028172. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41028172. Following Lipinski's Rule of Five, AN-329/41028172 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 AN-329/41028172 is 1351443-29-2.
The molecular formula of AN-329/41028172 is C15H12N4O3.
The molecular weight of AN-329/41028172 is 296.09094 g/mol.
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