TL;DR: Maybridge4_000766 (CAS 169120-56-3) is a chemical compound with molecular formula C17H11ClF3N3OS and molecular weight 397.02634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chloroanilino)-2-cyano-3-sulfanylidene-N-[3-(trifluoromethyl)phenyl]propanamide
Also Known As: Maybridge4_000766, IDI1_031348, DP 00477, 3, J2.872.784D, 3-(2-chloroanilino)-2-cyano-3-sulfanylidene-N-[3-(trifluoromethyl)phenyl]propanamide
| Molecular Formula | C17H11ClF3N3OS |
| Molecular Weight | 397.02634 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.02634 Da |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
| SMILES | C1=CC=C(C(=C1)NC(=S)C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl |
| InChIKey | JBTPUMQIJZGWRT-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Maybridge4_000766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge4_000766. Following Lipinski's Rule of Five, Maybridge4_000766 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Maybridge4_000766 is 169120-56-3.
The molecular formula of Maybridge4_000766 is C17H11ClF3N3OS.
The molecular weight of Maybridge4_000766 is 397.02634 g/mol.
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