TL;DR: 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate (CAS 1273558-79-4) is a chemical compound with molecular formula C17H16N2O6 and molecular weight 344.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(E)-[(3-carboxyphenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
Also Known As: (E)-6-((2-(3-carboxyphenyl)hydrazono)methyl)-2,3-dimethoxybenzoic acid, 6-[[(3-carboxyphenyl)hydrazinylidene]methyl]-2,3-dimethoxy-benzoic Acid, 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate
| Molecular Formula | C17H16N2O6 |
| Molecular Weight | 344.10083 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.10083 Da |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
| SMILES | COC1=C(C(=C(C=C1)/C=N/NC2=CC=CC(=C2)C(=O)O)C(=O)O)OC |
| InChIKey | UNUDNCMKRGQQSP-GIJQJNRQSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate. Following Lipinski's Rule of Five, 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate is 1273558-79-4.
The molecular formula of 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate is C17H16N2O6.
The molecular weight of 6-{(E)-[2-(3-carboxyphenyl)hydraziniumylidene]methyl}-2,3-dimethoxybenzoate is 344.10083 g/mol.
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