TL;DR: Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate (CAS 21615-36-1) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[N-(2-acetyloxyethyl)-3-methylanilino]ethyl acetate
Also Known As: 2,2'-((3-Methylphenyl)imino)bisethyl diacetate, N,N-Diacetoxyethyl-m-toluidine, 2,2'-( bisethyldiacetate, N,N-Diacetoxyethyl-3-methylaniline, KST-1A2793
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.14706 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 279.14706 Da |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
| SMILES | CC1=CC(=CC=C1)N(CCOC(=O)C)CCOC(=O)C |
| InChIKey | AHLUBQCOAONRMZ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate is 21615-36-1.
The molecular formula of Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate is C15H21NO4.
The molecular weight of Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate is 279.14706 g/mol.
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