TL;DR: 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane (CAS 1245807-70-8) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Also Known As: Cinmethylin, Cinch, Argold, Cinmethylin [ISO], Cinch (Cinmethylin)
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H26O2 |
| Molecular Weight | 274.19327 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.19327 Da |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
| SMILES | CC1=CC=CC=C1COC2CC3(CCC2(O3)C)C(C)C |
| InChIKey | QMTNOLKHSWIQBE-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane is 1245807-70-8.
The molecular formula of 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane is C18H26O2.
The molecular weight of 1-Methyl-2-((2-methylbenzyl)oxy)-4-(propan-2-yl)-7-oxabicyclo(2.2.1)heptane is 274.19327 g/mol.
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