TL;DR: cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester (CAS 145033-25-6) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (7S,9aS)-1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-7-carboxylate
Also Known As: cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester, (7R,9aR)-Methyl 1-oxooctahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate, (7R,9aR)-Methyl1-oxooctahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate, Methyl (6S,9S)-5-oxo-1,4-diazabicyclo[4.4.0]decane-9-carboxylate
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.11609 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.11609 Da |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
| SMILES | COC(=O)[C@H]1CC[C@H]2C(=O)NCCN2C1 |
| InChIKey | BRPXEPFCSRKAGN-YUMQZZPRSA-N |
The XLogP value of -0.2 indicates that cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester 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 cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester is 145033-25-6.
The molecular formula of cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester is C10H16N2O3.
The molecular weight of cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester is 212.11609 g/mol.
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