TL;DR: 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2 (CAS 145194-49-6) is a chemical compound with molecular formula C21H27N2O8P and molecular weight 466.1505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-hydroxyethyl ester, P-oxide, 2-Hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2-{5-[(2-hydroxyethoxy)carbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl}-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-olate, 5,5-Dimethyl-2-[[1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-[(2-hydroxyethoxy)carbonyl]pyridin]-3-yl]-1,3,2-dioxaphosphorinane 2-oxide
| Molecular Formula | C21H27N2O8P |
| Molecular Weight | 466.1505 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.1505 Da |
| Heavy Atoms | 32 |
| Complexity | 862.0 |
| SMILES | CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCO |
| InChIKey | JXJPWXHQYJJLNA-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2 is 145194-49-6.
The molecular formula of 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2 is C21H27N2O8P.
The molecular weight of 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2 is 466.1505 g/mol.
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