TL;DR: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)- (CAS 135521-80-1) is a chemical compound with molecular formula C24H15ClN2OS and molecular weight 414.05936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-chloro-2-methoxy-4-naphthalen-1-yl-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Also Known As: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)-, 9-Chloro-2-methoxy-4-(1-naphthalenyl)-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-naphthalen-1-yl-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile, 9-Chloro-2-methoxy-4-(naphthalen-1-yl)-5H-[1]benzothiopyrano[4,3-b]pyridine-3-carbonitrile, BRN 4275368
| Molecular Formula | C24H15ClN2OS |
| Molecular Weight | 414.05936 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.05936 Da |
| Heavy Atoms | 29 |
| Complexity | 638.0 |
| SMILES | COC1=C(C(=C2CSC3=C(C2=N1)C=C(C=C3)Cl)C4=CC=CC5=CC=CC=C54)C#N |
| InChIKey | IDLJIMOGEUDRJX-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)-. Following Lipinski's Rule of Five, 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)- is 135521-80-1.
The molecular formula of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)- is C24H15ClN2OS.
The molecular weight of 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(1-naphthalenyl)- is 414.05936 g/mol.
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