TL;DR: 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name) (CAS 1212489-40-1) is a chemical compound with molecular formula C30H42N4O3 and molecular weight 506.32568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylphenyl)-1-[2-[(2-methylphenyl)carbamoylamino]ethyl]-1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]urea
Also Known As: 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name), 1-(2-METHYLPHENYL)-3-(2-{[(2-METHYLPHENYL)CARBAMOYL][2-({1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}OXY)ETHYL]AMINO}ETHYL)UREA, 3-(2-methylphenyl)-1-[2-[(2-methylphenyl)carbamoylamino]ethyl]-1-[2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]urea, 3-(o-tolyl)-1-(2-(3-(o-tolyl)ureido)ethyl)-1-(2-(((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)urea
| Molecular Formula | C30H42N4O3 |
| Molecular Weight | 506.32568 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.32568 Da |
| Heavy Atoms | 37 |
| Complexity | 789.0 |
| SMILES | CC1=CC=CC=C1NC(=O)NCCN(CCOC2CC3CCC2(C3(C)C)C)C(=O)NC4=CC=CC=C4C |
| InChIKey | BKERYACZXKPAGW-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name). Following Lipinski's Rule of Five, 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name) has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name) is 1212489-40-1.
The molecular formula of 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name) is C30H42N4O3.
The molecular weight of 3-(2-methylphenyl)-1-(2-{[(2-methylphenyl)carbamoyl]amino}ethyl)-1-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}urea (non-preferred name) is 506.32568 g/mol.
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