TL;DR: Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)- (CAS 55291-02-6) is a chemical compound with molecular formula C24H32Cl2N6O2 and molecular weight 506.19638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenyl)-3-[3-[4-[3-[(2-chlorophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea
Also Known As: KST-1B5714, 5-23-01-00357 (Beilstein Handbook Reference), Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)-, 1,1'-(piperazine-1,4-diyldipropane-3,1-diyl)bis[3-(2-chlorophenyl)urea], N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)urea)
| Molecular Formula | C24H32Cl2N6O2 |
| Molecular Weight | 506.19638 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.19638 Da |
| Heavy Atoms | 34 |
| Complexity | 568.0 |
| SMILES | C1CN(CCN1CCCNC(=O)NC2=CC=CC=C2Cl)CCCNC(=O)NC3=CC=CC=C3Cl |
| InChIKey | YCVOCZGRLPVFNG-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)-. Following Lipinski's Rule of Five, Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)- has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)- is 55291-02-6.
The molecular formula of Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)- is C24H32Cl2N6O2.
The molecular weight of Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-(2-chlorophenyl)- is 506.19638 g/mol.
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