TL;DR: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate (CAS 3858-09-1) is a chemical compound with molecular formula C25H31F3N4O2S and molecular weight 508.21198 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,N-dimethylcarbamate
Also Known As: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate, 10-(3(4 BETA-DIMETHYLCARBAMYLOXYETHYL-1-PIPERAZINYL)PROPYL)-2- TRIFLUORO- METHYL, Carbamic acid, dimethyl-, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester
| Molecular Formula | C25H31F3N4O2S |
| Molecular Weight | 508.21198 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.21198 Da |
| Heavy Atoms | 35 |
| Complexity | 690.0 |
| SMILES | CN(C)C(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F |
| InChIKey | RRMXTMASPKZELJ-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate. Following Lipinski's Rule of Five, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate is 3858-09-1.
The molecular formula of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate is C25H31F3N4O2S.
The molecular weight of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl N,N-dimethylcarbamate is 508.21198 g/mol.
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