TL;DR: (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a (CAS 164230-00-6) is a chemical compound with molecular formula C21H18N2O3 and molecular weight 346.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaen-20-yl)acetate
Also Known As: methyl 2-(oxo[?]yl)acetate, NCI60_031966, (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a, 3,4-b']diindol-13-yl)-acetic acid methyl ester, Methyl (6-oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a:3,4-b']diindol-13-yl)acetate
| Molecular Formula | C21H18N2O3 |
| Molecular Weight | 346.13174 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.13174 Da |
| Heavy Atoms | 26 |
| Complexity | 594.0 |
| SMILES | COC(=O)CC1C2C3=C(CC(=O)N2C4=CC=CC=C14)C5=CC=CC=C5N3 |
| InChIKey | FOPDNKXARDERIV-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a. Following Lipinski's Rule of Five, (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a is 164230-00-6.
The molecular formula of (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a is C21H18N2O3.
The molecular weight of (6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a is 346.13174 g/mol.
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