TL;DR: 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE (CAS 326904-43-2) is a chemical compound with molecular formula C19H17N5O6 and molecular weight 411.1179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
Also Known As: 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE, 2-(3-methylphenoxy)-N-[[(5-nitro-2-oxo-indol-3-yl)amino]carbamoylmethyl]acetamide, 2-(3-methylphenoxy)-N-[2-[2-(5-nitro-2-oxoindol-3-yl)hydrazinyl]-2-oxoethyl]acetamide, (Z)-N-(2-(2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinyl)-2-oxoethyl)-2-(m-tolyloxy)acetamide, 2-(3-methylphenoxy)-N-{2-[(2Z)-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-2-oxoethyl}acetamide (non-preferred name)
| Molecular Formula | C19H17N5O6 |
| Molecular Weight | 411.1179 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1179 Da |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
| SMILES | CC1=CC(=CC=C1)OCC(=O)NCC(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O |
| InChIKey | JZXUHPUMBMOHMB-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE has 3 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 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE is 326904-43-2.
The molecular formula of 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE is C19H17N5O6.
The molecular weight of 2-(3-METHYLPHENOXY)-N-({N'-[(3E)-5-NITRO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]HYDRAZINECARBONYL}METHYL)ACETAMIDE is 411.1179 g/mol.
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