TL;DR: Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)- (CAS 102584-84-9) is a chemical compound with molecular formula C24H30Cl4N4O2 and molecular weight 546.1123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-3-[7-[(3,4-dichlorophenyl)carbamoylamino]-2,7-dimethyloctan-2-yl]urea
Also Known As: Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)-, 1,1'-(1,1,6,6-Tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)urea), 2,7-Diamino-2,7-dimethyloctaediamine, 3',3'',4',4''-tetrachlorodicarboxanilide, 2,7-Diamino-2,7-dimethyloctaediamine, 3',3",4',4"-tetrachlorodicarboxanilide, 1,1'-(2,7-dimethyloctane-2,7-diyl)bis[3-(3,4-dichlorophenyl)urea]
| Molecular Formula | C24H30Cl4N4O2 |
| Molecular Weight | 546.1123 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.1123 Da |
| Heavy Atoms | 34 |
| Complexity | 623.0 |
| SMILES | CC(C)(CCCCC(C)(C)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | JPBGDWABSKNNCO-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)- 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 Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)-. Following Lipinski's Rule of Five, Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)- has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)- is 102584-84-9.
The molecular formula of Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)- is C24H30Cl4N4O2.
The molecular weight of Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)- is 546.1123 g/mol.
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