TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- (CAS 135420-36-9) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-7-(2-methylidenebutanoyl)-4-propyl-1,4-benzoxazin-3-one
Also Known As: 2-Methyl-7-(2-methylene-1-oxobutyl)-4-propyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl-, 2-methyl-7-(2-methylidenebutanoyl)-4-propyl-1,4-benzoxazin-3-one, 2-Methyl-7-(2-methylidenebutanoyl)-4-propyl-2H-1,4-benzoxazin-3(4H)-one, BRN 4326246
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.15213 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.15213 Da |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
| SMILES | CCCN1C2=C(C=C(C=C2)C(=O)C(=C)CC)OC(C1=O)C |
| InChIKey | OLQCNWQRBCMVHW-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- has 0 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 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- is 135420-36-9.
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- is C17H21NO3.
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 2-methyl-7-(2-methylene-1-oxobutyl)-4-propyl- is 287.15213 g/mol.
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