TL;DR: Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl- (CAS 38349-09-6) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-5-methyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
Also Known As: 7-Methoxy-5-methyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole, PYRIMIDO(3,4-a)INDOLE, 1,2,3,4-TETRAHYDRO-7-METHOXY-5-METHYL-, Methoxymethyl-ethyl-malonsaeure-diethylester, 5-23-12-00062 (Beilstein Handbook Reference), 7-Methoxy-5-methyl-1,2,3,4-tetrahydropyrimido(3,4-a)indole
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CC1=C2CCNCN2C3=C1C=C(C=C3)OC |
| InChIKey | UUHKIIGORPPPKV-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl-. With a topological polar surface area (TPSA) of 26.2 Ų, Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl- 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 Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl- is 38349-09-6.
The molecular formula of Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl- is C13H16N2O.
The molecular weight of Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-methoxy-5-methyl- is 216.12627 g/mol.
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