![Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate structure](/static/products/7012/701218-84-0.webp)
Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate
TL;DR: Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate (CAS 701218-84-0) is a chemical compound with molecular formula C19H20FN3O2S and molecular weight 373.13 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]benzoate
Also Known As: methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate, methyl 3-(4-(2-fluorophenyl)piperazine-1-carbothioamido)benzoate, methyl 3-({[4-(2-fluorophenyl)-1-piperazinyl]carbonothioyl}amino)benzoate, methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate, METHYL 3-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBOTHIOYLAMINO]BENZOATE
| Molecular Formula | C19H20FN3O2S |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 3.1313 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.12604 |
| Heavy Atoms | 26 |
| Complexity | 806.87616 |
Chemical Identifiers
| CAS Number | 701218-84-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F |
Product Overview
Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate (CAS 701218-84-0), with molecular formula C19H20FN3O2S and molecular weight 373.13 g/mol. IUPAC: methyl 3-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Property Insights of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate
The XLogP value of 3.1313 indicates that Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate 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)benzoate 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)benzoate has 1 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-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The CAS number of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate is 701218-84-0.
What is the molecular formula of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The molecular formula of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate is C19H20FN3O2S.
What is the molecular weight of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
The molecular weight of Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate is 373.13 g/mol.
Where can I buy Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate?
You can request a quote for Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate 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)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-({[4-(2-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.