TL;DR: 4-Methylumbelliferyl palmitate (CAS 17695-48-6) is a chemical compound with molecular formula C26H38O4 and molecular weight 414.277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-2-oxochromen-7-yl) hexadecanoate
Also Known As: 4-Methylumbelliferyl palmitate, aceticanhydride, 4-methyl-2-oxo-2h-chromen-7-yl palmitate, 4-MUP, (4-methyl-2-oxochromen-7-yl) hexadecanoate
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H38O4 |
| Molecular Weight | 414.277 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 414.277 Da |
| Heavy Atoms | 30 |
| Complexity | 539.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | QKQVFFACWLFRRX-UHFFFAOYSA-N |
The XLogP value of 9.3 indicates that 4-Methylumbelliferyl palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methylumbelliferyl palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylumbelliferyl palmitate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Methylumbelliferyl palmitate is 17695-48-6.
The molecular formula of 4-Methylumbelliferyl palmitate is C26H38O4.
The molecular weight of 4-Methylumbelliferyl palmitate is 414.277 g/mol.
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