TL;DR: (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole (CAS 900284-12-0) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine
Also Known As: (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole, 8-methyl-4-[(2E)-2-(2,4,5-trimethoxybenzylidene)hydrazinyl]-5H-pyrimido[5,4-b]indole, N-(8-Methyl-5H-pyrimido[5,4-b]indol-4-yl)-N'-[1-(2,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-hydrazine
| Molecular Formula | C21H21N5O3 |
| Molecular Weight | 391.16443 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.16443 Da |
| Heavy Atoms | 29 |
| Complexity | 564.0 |
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN=C3N/N=C/C4=CC(=C(C=C4OC)OC)OC |
| InChIKey | OAYHWLLMSJGLTK-YSURURNPSA-N |
The XLogP value of 4.0 indicates that (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole is 900284-12-0.
The molecular formula of (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole is C21H21N5O3.
The molecular weight of (E)-8-methyl-4-(2-(2,4,5-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole is 391.16443 g/mol.
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