TL;DR: 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CAS 882358-24-9) is a chemical compound with molecular formula C17H13Cl2N3O2 and molecular weight 361.03848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Also Known As: 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, F1798-0070, 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-4H,5H,6H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C17H13Cl2N3O2 |
| Molecular Weight | 361.03848 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.03848 Da |
| Heavy Atoms | 24 |
| Complexity | 731.0 |
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)Cl)Cl)C(=O)N1C |
| InChIKey | IIQKQMLUHFAVEP-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile has 1 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 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is 882358-24-9.
The molecular formula of 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is C17H13Cl2N3O2.
The molecular weight of 2-amino-4-(3,4-dichlorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is 361.03848 g/mol.
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