TL;DR: 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine (CAS 721414-98-8) is a chemical compound with molecular formula C24H16BrF2N3O2S and molecular weight 527.0115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-thiazol-2-imine
Also Known As: 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine, 4-(3-bromophenyl)-N-(2,4-difluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-thiazol-2-imine
| Molecular Formula | C24H16BrF2N3O2S |
| Molecular Weight | 527.0115 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 71.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.0115 Da |
| Heavy Atoms | 33 |
| Complexity | 785.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)C=NN3C(=CSC3=NC4=C(C=C(C=C4)F)F)C5=CC(=CC=C5)Br |
| InChIKey | XUJKRIARGJTISZ-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine. Following Lipinski's Rule of Five, 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine is 721414-98-8.
The molecular formula of 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine is C24H16BrF2N3O2S.
The molecular weight of 4-(3-Bromophenyl)-2-[(2,4-difluorophenyl)imino]-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylene]-3(2H)-thiazolamine is 527.0115 g/mol.
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