TL;DR: 1-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea (CAS 132571-96-1) is a chemical compound with molecular formula C20H16Cl2N4O2 and molecular weight 414.06503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]urea
Also Known As: 1-(4-CHLORO-PHENYL)-3-(4-(3-(4-CHLORO-PHENYL)-UREIDO)-PHENYL)-UREA, 1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]urea, 3-(4-chlorophenyl)-1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]urea, 683-448-5
| Molecular Formula | C20H16Cl2N4O2 |
| Molecular Weight | 414.06503 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.06503 Da |
| Heavy Atoms | 28 |
| Complexity | 466.0 |
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | DJSDFROQFMULFQ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea. Following Lipinski's Rule of Five, 1-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea has 4 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-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea is 132571-96-1.
The molecular formula of 1-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea is C20H16Cl2N4O2.
The molecular weight of 1-(4-Chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea is 414.06503 g/mol.
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