TL;DR: 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea (CAS 30805-05-1) is a chemical compound with molecular formula C24H21N9O3 and molecular weight 483.17673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4,6-bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea
Also Known As: J1.614.895D, 1-[4,6-bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea, 1,1',1''-(S-TRIAZINE-2,4,6-TRIYL)TRIS(3-PHENY*), N,N',N''-1,3,5-Triazine-2,4,6-triyltris(N'-phenylurea), 1,1 ,1 -(s-Triazine-2,4,6-triyl)tris(3-phenylurea)
| Molecular Formula | C24H21N9O3 |
| Molecular Weight | 483.17673 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.17673 Da |
| Heavy Atoms | 36 |
| Complexity | 615.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=NC(=NC(=N2)NC(=O)NC3=CC=CC=C3)NC(=O)NC4=CC=CC=C4 |
| InChIKey | ZPYKAZVCGWGNFY-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea. The TPSA of 162.0 Ų indicates high polarity, suggesting 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea is 30805-05-1.
The molecular formula of 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea is C24H21N9O3.
The molecular weight of 1-[4,6-Bis(phenylcarbamoylamino)-1,3,5-triazin-2-yl]-3-phenylurea is 483.17673 g/mol.
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