dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate
TL;DR: dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate (CAS 701941-48-2) is a chemical compound with molecular formula C21H22F3N3O4S2 and molecular weight 501.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate, methyl 5-(methoxycarbonyl)-4-methyl-2-[(thioxo{4-[3-(trifluoromethyl)phenyl]pi perazinyl}methyl)amino]thiophene-3-carboxylate
| Molecular Formula | C21H22F3N3O4S2 |
|---|---|
| Molecular Weight | 501.10 g/mol |
| LogP | 4.16752 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.10037 |
| Heavy Atoms | 33 |
| Complexity | 1063.5096 |
Chemical Identifiers
| CAS Number | 701941-48-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC |
Product Overview
dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate (CAS 701941-48-2), with molecular formula C21H22F3N3O4S2 and molecular weight 501.10 g/mol. IUPAC: dimethyl 3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate
Property Insights of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate
The XLogP value of 4.16752 indicates that dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate?
The CAS number of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate is 701941-48-2.
What is the molecular formula of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate is C21H22F3N3O4S2.
What is the molecular weight of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate is 501.10 g/mol.
Where can I buy dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 3-methyl-5-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.