TL;DR: 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea (CAS 1024357-21-8) is a chemical compound with molecular formula C14H9Cl2F4N3O and molecular weight 381.0059 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-3-(2,3,5,6-tetrafluoro-4-methylanilino)urea
Also Known As: 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea, N-(3,4-dichlorophenyl)-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-1-hydrazinecarboxamide, 1-(3,4-dichlorophenyl)-3-(2,3,5,6-tetrafluoro-4-methylanilino)urea, 1-(3,4-dichlorophenyl)-3-(2,3,5,6-tetrafluoro-4-methyl-anilino)urea, 3-(3,4-dichlorophenyl)-1-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea
| Molecular Formula | C14H9Cl2F4N3O |
| Molecular Weight | 381.0059 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.0059 Da |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
| SMILES | CC1=C(C(=C(C(=C1F)F)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl)F)F |
| InChIKey | IKPJDCPKMDCEQU-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea is 1024357-21-8.
The molecular formula of 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea is C14H9Cl2F4N3O.
The molecular weight of 1-(3,4-dichlorophenyl)-3-[(2,3,5,6-tetrafluoro-4-methylphenyl)amino]urea is 381.0059 g/mol.
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