TL;DR: F0784-0052 (CAS 1164549-45-4) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(1,3-benzodioxol-5-yl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
Also Known As: F0784-0052, (Z)-2-(4-(benzo[d][1,3]dioxol-5-yl)-2-(phenylimino)thiazol-3(2H)-yl)ethanol hydrobromide, 2-[4-(1,3-benzodioxol-5-yl)-2-phenylimino-1,3-thiazol-3-yl]ethanol hydrobromide, 2-((2Z)-4-(1,3-benzodioxol-5-yl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl)ethanol hydrobromide
| Molecular Formula | C18H17BrN2O3S |
| Molecular Weight | 420.01434 g/mol |
| XLogP | 3.7479 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.01434 Da |
| Heavy Atoms | 25 |
| Complexity | 504.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CCO.Br |
| InChIKey | MLGIAFLAUYFVIV-UHFFFAOYSA-N |
The XLogP value of 3.7479 indicates that F0784-0052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F0784-0052. Following Lipinski's Rule of Five, F0784-0052 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of F0784-0052 is 1164549-45-4.
The molecular formula of F0784-0052 is C18H17BrN2O3S.
The molecular weight of F0784-0052 is 420.01434 g/mol.
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