![Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate structure](/static/products/7082/708282-93-3.webp)
Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate
TL;DR: Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate (CAS 708282-93-3) is a chemical compound with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: methyl 4-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)benzoate, methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate, methyl 4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate, METHYL 4-({[4-(2-FURYLCARBONYL)PIPERAZINO]CARBOTHIOYL}AMINO)BENZOATE, methyl 4-({[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzoate
| Molecular Formula | C18H19N3O4S |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 2.221 |
| Topological Polar Surface Area | 75.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.10962 |
| Heavy Atoms | 26 |
| Complexity | 781.27734 |
Chemical Identifiers
| CAS Number | 708282-93-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 |
Product Overview
Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate (CAS 708282-93-3), with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol. IUPAC: methyl 4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate
Property Insights of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate
The XLogP value of 2.221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate. The TPSA of 75.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate 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 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate?
The CAS number of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate is 708282-93-3.
What is the molecular formula of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate?
The molecular formula of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate is C18H19N3O4S.
What is the molecular weight of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate?
The molecular weight of Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate is 373.11 g/mol.
Where can I buy Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate?
You can request a quote for Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}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 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.