TL;DR: 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896843-51-9) is a chemical compound with molecular formula C14H15N3O2 and molecular weight 257.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methoxyethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(2-methoxyethyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-(2-methoxyethyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.11642 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.11642 Da |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
| SMILES | CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCOC |
| InChIKey | INYXZUQLAXDLSB-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. With a topological polar surface area (TPSA) of 57.7 Ų, 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one 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 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 896843-51-9.
The molecular formula of 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C14H15N3O2.
The molecular weight of 3-(2-methoxyethyl)-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 257.11642 g/mol.
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