TL;DR: Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate (CAS 1191904-34-3) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.10593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamate
Also Known As: AN-329/40319633, methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate, methyl (2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate, methyl N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamate, (e)-methyl N'-(3,4,5-trimethoxybenzylidene) hydrazine carboxylate
| Molecular Formula | C12H16N2O5 |
| Molecular Weight | 268.10593 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10593 Da |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)OC |
| InChIKey | XGFMIZBLOXKFJS-NTUHNPAUSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate is 1191904-34-3.
The molecular formula of Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate is C12H16N2O5.
The molecular weight of Methyl 2-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate is 268.10593 g/mol.
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