TL;DR: 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate (CAS 1025251-11-9) is a chemical compound with molecular formula C25H16ClF3N4O4 and molecular weight 528.08124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]amino] 2-phenoxypyridine-3-carboxylate
Also Known As: 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate, [[amino-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]amino] 2-phenoxypyridine-3-carboxylate, [[amino-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 2-phenoxypyridine-3-carboxylate, [AMINO(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY}PHENYL)METHYLIDENE]AMINO 2-PHENOXYPYRIDINE-3-CARBOXYLATE, C25H16ClF3N4O4
| Molecular Formula | C25H16ClF3N4O4 |
| Molecular Weight | 528.08124 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.08124 Da |
| Heavy Atoms | 37 |
| Complexity | 776.0 |
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)ON=C(C3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl)N |
| InChIKey | FWARHIGTFCVSEN-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate is 1025251-11-9.
The molecular formula of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate is C25H16ClF3N4O4.
The molecular weight of 2-amino-1-aza-2-(4-(3-chloro-5-(trifluoromethyl)(2-pyridyloxy))phenyl)vinyl2-phenoxypyridine-3-carboxylate is 528.08124 g/mol.
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