TL;DR: 1-Methoxy-1-(4-methylbenzyl)-3-phenylurea (CAS 139444-37-4) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-1-[(4-methylphenyl)methyl]-3-phenylurea
Also Known As: 1-Methoxy-1-(4-methylbenzyl)-3-phenylurea, Bis(3-chloro-1,2,4-thiadiazol-5-ylsulfinyl)methane, 1-methoxy-1-[(4-methylphenyl)methyl]-3-phenylurea, I14-36250, Urea,N-methoxy-N-[(4-methylphenyl)methyl]-N'-phenyl-
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | 270.13684 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.13684 Da |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
| SMILES | CC1=CC=C(C=C1)CN(C(=O)NC2=CC=CC=C2)OC |
| InChIKey | VWXRTKFZIHBAOB-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-Methoxy-1-(4-methylbenzyl)-3-phenylurea 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-Methoxy-1-(4-methylbenzyl)-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-1-(4-methylbenzyl)-3-phenylurea has 1 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-Methoxy-1-(4-methylbenzyl)-3-phenylurea is 139444-37-4.
The molecular formula of 1-Methoxy-1-(4-methylbenzyl)-3-phenylurea is C16H18N2O2.
The molecular weight of 1-Methoxy-1-(4-methylbenzyl)-3-phenylurea is 270.13684 g/mol.
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