TL;DR: Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester (CAS 18241-31-1) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[(4-methylphenyl)methyl] oxalate
Also Known As: Bis(4-methylbenzyl) oxalate, bis[(4-methylphenyl)methyl] oxalate, Bis(p-methylbenzyl)oxalate, p-methylbenzyl oxalate, (+)-Dehydroabieticacid
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.1205 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 Da |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
| SMILES | CC1=CC=C(C=C1)COC(=O)C(=O)OCC2=CC=C(C=C2)C |
| InChIKey | FPFZBTUMXCSRLU-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester is 18241-31-1.
The molecular formula of Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester is C18H18O4.
The molecular weight of Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester is 298.1205 g/mol.
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