![Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate structure](/static/products/1007/1007962-47-1.webp)
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
TL;DR: Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate (CAS 1007962-47-1) is a chemical compound with molecular formula C15H16F3N3O3S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate
Also Known As: methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate, methyl [3-oxo-1-({[3-(trifluoromethyl)phenyl]amino}carbonothioyl)-2-piperazinyl]acetate, methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate, methyl 2-(3-oxo-1-((3-(trifluoromethyl)phenyl)carbamothioyl)piperazin-2-yl)acetate, METHYL 2-(3-OXO-1-{[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOTHIOYL}PIPERAZIN-2-YL)ACETATE
| Molecular Formula | C15H16F3N3O3S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 1.7657 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.08646 |
| Heavy Atoms | 25 |
| Complexity | 681.4757 |
Chemical Identifiers
| CAS Number | 1007962-47-1 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate (CAS 1007962-47-1), with molecular formula C15H16F3N3O3S and molecular weight 375.09 g/mol. IUPAC: methyl 2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-2-yl]acetate.
Chemical Property Profile of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
Property Insights of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate
The XLogP value of 1.7657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate has 2 hydrogen bond donor(s) and 4 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 Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate?
The CAS number of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate is 1007962-47-1.
What is the molecular formula of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate?
The molecular formula of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate is C15H16F3N3O3S.
What is the molecular weight of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate?
The molecular weight of Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate is 375.09 g/mol.
Where can I buy Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate?
You can request a quote for Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-oxo-1-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.