TL;DR: RefChem:1058544 (CAS 133662-14-3) is a chemical compound with molecular formula C15H16ClN3O and molecular weight 289.09818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-1,5-dimethylpyrrole-2-carboxamide
Also Known As: (E)-1,5-Dimethyl-1H-pyrrole-2-carboxylic acid (1-(2-chlorophenyl)ethylidene)hydrazide, 1H-Pyrrole-2-carboxylic acid, 1,5-dimethyl-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-, N -(alpha-Methyl-2-chlorobenzylidene)-1,5-dimethyl-1H-pyrrole-2-carbohydrazide, N'-[1-(2-chlorophenyl)ethylidene]-1,5-dimethyl-1H-pyrrole-2-carbohydrazide, BRN 4261651
| Molecular Formula | C15H16ClN3O |
| Molecular Weight | 289.09818 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 46.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.09818 Da |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
| SMILES | CC1=CC=C(N1C)C(=O)N/N=C(\C)/C2=CC=CC=C2Cl |
| InChIKey | VLFGAFRBUKDEGS-GZTJUZNOSA-N |
The XLogP value of 3.2 indicates that RefChem:1058544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, RefChem:1058544 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058544 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 RefChem:1058544 is 133662-14-3.
The molecular formula of RefChem:1058544 is C15H16ClN3O.
The molecular weight of RefChem:1058544 is 289.09818 g/mol.
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