TL;DR: 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- (CAS 100695-70-3) is a chemical compound with molecular formula C18H16Cl2N2O2 and molecular weight 362.05887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,6-dichloro-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
Also Known As: 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)-, 2-(4,6-Dichloro-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide, 2-(4,6-dichlorobenzo[d]isoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
| Molecular Formula | C18H16Cl2N2O2 |
| Molecular Weight | 362.05887 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.05887 Da |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
| SMILES | CC(C)(C1=CC=CC=C1)NC(=O)CC2=NOC3=C2C(=CC(=C3)Cl)Cl |
| InChIKey | ZREVFZFHKFVVQT-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- is 100695-70-3.
The molecular formula of 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- is C18H16Cl2N2O2.
The molecular weight of 1,2-Benzisoxazole-3-acetamide, 4,6-dichloro-N-(1-methyl-1-phenylethyl)- is 362.05887 g/mol.
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