![4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide structure](/static/products/1024/1024251-56-6.webp)
4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide
TL;DR: 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide (CAS 1024251-56-6) is a chemical compound with molecular formula C16H16F3NO2S and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide
Also Known As: 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide, 5,5-DIMETHYL-2-(THIOXO((3-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYL)CYCLOHEXANE-1,3-DIONE, 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexanecarbothioamide, 5,5-dimethyl-2-(thioxo{[3-(trifluoromethyl)phenyl]amino}methyl)cyclohexane-1,3 -dione
| Molecular Formula | C16H16F3NO2S |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 4.0191 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.0854 |
| Heavy Atoms | 23 |
| Complexity | 647.53436 |
Chemical Identifiers
| CAS Number | 1024251-56-6 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F)C |
Product Overview
4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide (CAS 1024251-56-6), with molecular formula C16H16F3NO2S and molecular weight 343.09 g/mol. IUPAC: 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide.
Chemical Property Profile of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide
Property Insights of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide
The XLogP value of 4.0191 indicates that 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide?
The CAS number of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide is 1024251-56-6.
What is the molecular formula of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide?
The molecular formula of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide is C16H16F3NO2S.
What is the molecular weight of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide?
The molecular weight of 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide is 343.09 g/mol.
Where can I buy 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide?
You can request a quote for 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.