TL;DR: Fluphenazine adamantylcarbamate (CAS 59032-09-6) is a chemical compound with molecular formula C33H43Cl2F3N4O2S and molecular weight 686.2436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N-(1-adamantyl)carbamate;dihydrochloride
Also Known As: Fluphenazine adamantylcarbamate, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N-(1-adamantyl)carbamate dihydrochloride, 4-(3-(2-Trifluoromethyl)phenothiazin-10-yl)propyl-1-piperazineethyl N-(1-adamantyl)carbamate dihydrochloride, Carbamic acid, tricyclo(3.3.1.1(3,7))dec-1-yl-, 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester, dihydrochloride, 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl adamantan-1-ylcarbamate--hydrogen chloride (1/2)
| Molecular Formula | C33H43Cl2F3N4O2S |
| Molecular Weight | 686.2436 g/mol |
| XLogP | 7.85 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 686.2436 Da |
| Heavy Atoms | 45 |
| Complexity | 935.0 |
| SMILES | C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOC(=O)NC56CC7CC(C5)CC(C7)C6.Cl.Cl |
| InChIKey | FJFFNNYMVWEZBC-UHFFFAOYSA-N |
The XLogP value of 7.85 indicates that Fluphenazine adamantylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Fluphenazine adamantylcarbamate. Following Lipinski's Rule of Five, Fluphenazine adamantylcarbamate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fluphenazine adamantylcarbamate is 59032-09-6.
The molecular formula of Fluphenazine adamantylcarbamate is C33H43Cl2F3N4O2S.
The molecular weight of Fluphenazine adamantylcarbamate is 686.2436 g/mol.
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