![Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate structure](/static/products/5164/516457-83-3.webp)
Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
TL;DR: Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate (CAS 516457-83-3) is a chemical compound with molecular formula C20H22FN3O2S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: methyl [4-({[4-(4-fluorophenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate, methyl 2-(4-(4-(4-fluorophenyl)piperazine-1-carbothioamido)phenyl)acetate, 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester, methyl [4-({[4-(4-fluorophenyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate
| Molecular Formula | C20H22FN3O2S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 3.0602 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.14166 |
| Heavy Atoms | 27 |
| Complexity | 787.879 |
Chemical Identifiers
| CAS Number | 516457-83-3 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F |
Product Overview
Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate (CAS 516457-83-3), with molecular formula C20H22FN3O2S and molecular weight 387.14 g/mol. IUPAC: methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Property Insights of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
The XLogP value of 3.0602 indicates that Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate 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 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate 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 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
The CAS number of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate is 516457-83-3.
What is the molecular formula of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
The molecular formula of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate is C20H22FN3O2S.
What is the molecular weight of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
The molecular weight of Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate is 387.14 g/mol.
Where can I buy Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
You can request a quote for Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.