TL;DR: 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester (CAS 109493-57-4) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Also Known As: 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester, methyl 3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate, N-Cyclohexyl-2-imino-5-(methoxycarbonyl)-7-methyl-4-oxo-2H-pyrido[3,2-e][1,3]thiazine-3(4H)-carboximidic acid
| Molecular Formula | C17H20N4O4S |
| Molecular Weight | 376.1205 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.1205 Da |
| Heavy Atoms | 26 |
| Complexity | 608.0 |
| SMILES | CC1=CC(=C2C(=N1)SC(=N)N(C2=O)C(=O)NC3CCCCC3)C(=O)OC |
| InChIKey | TYKMKGFIBBLLNW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester is 109493-57-4.
The molecular formula of 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester is C17H20N4O4S.
The molecular weight of 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-3-(cyclohexylcarbamoyl)-2-imino-7-methyl-4-oxo-, methyl ester is 376.1205 g/mol.
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