TL;DR: 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 135420-34-7) is a chemical compound with molecular formula C23H33NO3 and molecular weight 371.24603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-7-(2-methylidenedodecanoyl)-1,4-benzoxazin-3-one
Also Known As: 2,4-Dimethyl-7-(2-methylene-1-oxododecyl)-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(2-methylene-1-oxododecyl)-, 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one, 2,4-Dimethyl-7-(2-decylacryloyl)-4H-1,4-benzoxazin-3(2H)-one, 2,4-dimethyl-7-(2-methylidenedodecanoyl)-1,4-benzoxazin-3-one
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.24603 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 371.24603 Da |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
| SMILES | CCCCCCCCCCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)C)C |
| InChIKey | DXXFQHHXWHVCLV-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one is 135420-34-7.
The molecular formula of 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one is C23H33NO3.
The molecular weight of 2,4-Dimethyl-7-(2-methylidenedodecanoyl)-2H-1,4-benzoxazin-3(4H)-one is 371.24603 g/mol.
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