![methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate structure](/static/products/892/892272-82-1.png)
methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate
TL;DR: methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate (CAS 892272-82-1) is a chemical compound with molecular formula C17H18FN3O2S2 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate, methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate, methyl 3-(((4-(2-fluorophenyl)piperazinylthioxomethyl)amino)thiophene-2-carboxylate, methyl 3-{[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino}thiophene-2-carboxylate, Methyl 3-(((4-(2-fluorophenyl)piperazinyl)thioxomethyl)amino)thiophene-2-carboxylate
| Molecular Formula | C17H18FN3O2S2 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 3.1928 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.08246 |
| Heavy Atoms | 25 |
| Complexity | 772.75836 |
Chemical Identifiers
| CAS Number | 892272-82-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F |
Product Overview
methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate (CAS 892272-82-1), with molecular formula C17H18FN3O2S2 and molecular weight 379.08 g/mol. IUPAC: methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate
Property Insights of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate
The XLogP value of 3.1928 indicates that methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-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 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-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 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate?
The CAS number of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate is 892272-82-1.
What is the molecular formula of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate?
The molecular formula of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate is C17H18FN3O2S2.
What is the molecular weight of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate?
The molecular weight of methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate is 379.08 g/mol.
Where can I buy methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate?
You can request a quote for methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.