TL;DR: (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one (CAS 1212451-11-0) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10aS)-10,10,10a-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
Also Known As: (10aS)-10,10,10a-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one, (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.1419 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.1419 Da |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
| SMILES | C[C@@]12C(C3=CC=CC=C3N1CCC(=O)N2)(C)C |
| InChIKey | ASXASADEFMUYPU-AWEZNQCLSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one. With a topological polar surface area (TPSA) of 32.3 Ų, (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is 1212451-11-0.
The molecular formula of (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is C14H18N2O.
The molecular weight of (S)-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one is 230.1419 g/mol.
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