1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine
TL;DR: 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine (CAS 131947-12-1) is a chemical compound with molecular formula C9H10Cl4N2S and molecular weight 317.9319 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-5-piperidin-1-yl-3-(trichloromethyl)-1,2-thiazole
Also Known As: BAS 00457287, NCI60_022453, 3-trichloromethyl-4-chloro-5-piperidinoisothiazole, 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine, 1-(4-Chloro-3-trichloromethyl-isothiazol-5-yl)-piperidine
Technical Specifications
| Molecular Formula | C9H10Cl4N2S |
| Molecular Weight | 317.9319 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.9319 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | C1CCN(CC1)C2=C(C(=NS2)C(Cl)(Cl)Cl)Cl |
| InChIKey | IXONEFLPCMNSRT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine
Property Insights of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine
The XLogP value of 4.6 indicates that 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine?
The CAS number of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine is 131947-12-1.
What is the molecular formula of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine?
The molecular formula of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine is C9H10Cl4N2S.
What is the molecular weight of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine?
The molecular weight of 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine is 317.9319 g/mol.
Where can I buy 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine?
You can request a quote for 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.