TL;DR: 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA (CAS 1212433-18-5) is a chemical compound with molecular formula C26H40N2O2 and molecular weight 412.309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexyl-3-(2-methylphenyl)-1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]urea
Also Known As: 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA, 1-cyclohexyl-3-(2-methylphenyl)-1-[2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]urea, 1-cyclohexyl-3-(2-methylphenyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea, 1-cyclohexyl-3-(o-tolyl)-1-(2-(((1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)urea
| Molecular Formula | C26H40N2O2 |
| Molecular Weight | 412.309 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.309 Da |
| Heavy Atoms | 30 |
| Complexity | 600.0 |
| SMILES | CC1=CC=CC=C1NC(=O)N(CCOC2CC3CCC2(C3(C)C)C)C4CCCCC4 |
| InChIKey | VUGPATWMNVUEQK-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA is 1212433-18-5.
The molecular formula of 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA is C26H40N2O2.
The molecular weight of 1-CYCLOHEXYL-3-(2-METHYLPHENYL)-1-[2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]UREA is 412.309 g/mol.
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