TL;DR: 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one (CAS 1408316-02-8) is a chemical compound with molecular formula C19H12BrN3O2S and molecular weight 424.98337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
Also Known As: (E)-3-(2-(2-(4-bromobenzylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one, 3-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one, 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one
| Molecular Formula | C19H12BrN3O2S |
| Molecular Weight | 424.98337 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.98337 Da |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)N/N=C/C4=CC=C(C=C4)Br |
| InChIKey | IZLBRKOBYXGVDP-UFFVCSGVSA-N |
The XLogP value of 5.3 indicates that 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one is 1408316-02-8.
The molecular formula of 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one is C19H12BrN3O2S.
The molecular weight of 3-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2H-chromen-2-one is 424.98337 g/mol.
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