methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate
TL;DR: methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate (CAS 701946-67-0) is a chemical compound with molecular formula C20H22F3N3O2S2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
Also Known As: methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate, methyl 5-ethyl-2-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]thiophene-3-carboxylate, methyl 5-ethyl-2-[(thioxo{4-[3-(trifluoromethyl)phenyl]piperazinyl}methyl)amin o]thiophene-3-carboxylate, methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
| Molecular Formula | C20H22F3N3O2S2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 4.6349 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.11057 |
| Heavy Atoms | 30 |
| Complexity | 922.2608 |
Chemical Identifiers
| CAS Number | 701946-67-0 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC |
Product Overview
methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate (CAS 701946-67-0), with molecular formula C20H22F3N3O2S2 and molecular weight 457.11 g/mol. IUPAC: methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate
Property Insights of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate
The XLogP value of 4.6349 indicates that methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate?
The CAS number of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate is 701946-67-0.
What is the molecular formula of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate?
The molecular formula of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate is C20H22F3N3O2S2.
What is the molecular weight of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate?
The molecular weight of methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate is 457.11 g/mol.
Where can I buy methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate?
You can request a quote for methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-ethyl-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.