TL;DR: Butyramide, N-(2-bromoallyl)- (CAS 100700-19-4) is a chemical compound with molecular formula C7H12BrNO and molecular weight 205.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromoprop-2-enyl)butanamide
Also Known As: N-(2-Bromoallyl)butyramide, BUTYRAMIDE, N-(2-BROMOALLYL)-, N-(2-bromoprop-2-enyl)butanamide, n-(2-bromoprop-2-en-1-yl)butanamide
| Molecular Formula | C7H12BrNO |
| Molecular Weight | 205.01022 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.01022 Da |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| SMILES | CCCC(=O)NCC(=C)Br |
| InChIKey | JWWPHLSIHMJIIT-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyramide, N-(2-bromoallyl)-. With a topological polar surface area (TPSA) of 29.1 Ų, Butyramide, N-(2-bromoallyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyramide, N-(2-bromoallyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Butyramide, N-(2-bromoallyl)- is 100700-19-4.
The molecular formula of Butyramide, N-(2-bromoallyl)- is C7H12BrNO.
The molecular weight of Butyramide, N-(2-bromoallyl)- is 205.01022 g/mol.
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