![N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide structure](/static/products/7745/774553-74-1.webp)
N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
TL;DR: N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide (CAS 774553-74-1) is a chemical compound with molecular formula C21H22ClF3N2O3S and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
Also Known As: N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide, 1-{[(4-chloro-2,5-dimethoxyphenyl)amino]thioxomethyl}-4-[3-(trifluoromethyl)ph enyl]piperidin-4-ol, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)-4-HYDROXY-4-[3-(TRIFLUOROMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRIDINECARBOTHIOAMIDE
| Molecular Formula | C21H22ClF3N2O3S |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 5.0564 |
| Topological Polar Surface Area | 53.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.09918 |
| Heavy Atoms | 31 |
| Complexity | 963.3715 |
Chemical Identifiers
| CAS Number | 774553-74-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)OC)Cl |
Product Overview
N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide (CAS 774553-74-1), with molecular formula C21H22ClF3N2O3S and molecular weight 474.10 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide.
Chemical Property Profile of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
Property Insights of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
The XLogP value of 5.0564 indicates that N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.96 Ų, N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
The CAS number of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide is 774553-74-1.
What is the molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
The molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide is C21H22ClF3N2O3S.
What is the molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
The molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide is 474.10 g/mol.
Where can I buy N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
You can request a quote for N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.