TL;DR: 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea) (CAS 30805-04-0) is a chemical compound with molecular formula C23H19N7O2 and molecular weight 425.16003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3-[4-phenyl-6-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
Also Known As: J1.614.894F, 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea), 1,1 -(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea), 1,1'-(6-PHENYL-S-TRIAZINE-2,4-DIYL)BIS(3-PHEN*), N,N'-(6-Phenyl-1,3,5-triazine-2,4-diyl)bis(N'-phenylurea)
| Molecular Formula | C23H19N7O2 |
| Molecular Weight | 425.16003 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.16003 Da |
| Heavy Atoms | 32 |
| Complexity | 559.0 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)NC(=O)NC3=CC=CC=C3)NC(=O)NC4=CC=CC=C4 |
| InChIKey | LWYRSUQVFUCUPW-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea). Following Lipinski's Rule of Five, 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea) has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea) is 30805-04-0.
The molecular formula of 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea) is C23H19N7O2.
The molecular weight of 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea) is 425.16003 g/mol.
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