TL;DR: 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine (CAS 1164527-65-4) is a chemical compound with molecular formula C23H16F3NO2S and molecular weight 427.0854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one
Also Known As: BAS 00619902, 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine, (E)-3-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]prop-2-en-1-one, 3-(4-Methoxy-phenyl)-1-(2-trifluoromethyl-phenothiazin-10-yl)-propenone, (2E)-3-(4-methoxyphenyl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]prop-2-en-1-one
| Molecular Formula | C23H16F3NO2S |
| Molecular Weight | 427.0854 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.0854 Da |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F |
| InChIKey | UYDKTHGOXQYNCN-MDWZMJQESA-N |
The XLogP value of 5.9 indicates that 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine is 1164527-65-4.
The molecular formula of 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine is C23H16F3NO2S.
The molecular weight of 10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine is 427.0854 g/mol.
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