![Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate structure](/static/products/831/831246-50-5.png)
Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate
TL;DR: Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate (CAS 831246-50-5) is a chemical compound with molecular formula C20H23N3O6S and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate, AO-022/43329327, methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5-dimethoxybenzoate, METHYL 2-({[4-(2-FURYLCARBONYL)PIPERAZINO]CARBOTHIOYL}AMINO)-4,5-DIMETHOXYBENZOATE, methyl 2-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4,5-dimethoxybe nzoate
| Molecular Formula | C20H23N3O6S |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 2.2382 |
| Topological Polar Surface Area | 93.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.13077 |
| Heavy Atoms | 30 |
| Complexity | 922.87305 |
Chemical Identifiers
| CAS Number | 831246-50-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC |
Product Overview
Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate (CAS 831246-50-5), with molecular formula C20H23N3O6S and molecular weight 433.13 g/mol. IUPAC: methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate
Property Insights of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate
The XLogP value of 2.2382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate. The TPSA of 93.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 7 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-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate is 831246-50-5.
What is the molecular formula of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate is C20H23N3O6S.
What is the molecular weight of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate is 433.13 g/mol.
Where can I buy Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate 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-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[4-(2-furoyl)-1-piperazinyl]carbothioyl}amino)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.