![methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate structure](/static/products/831/831236-79-4.png)
methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate
TL;DR: methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate (CAS 831236-79-4) is a chemical compound with molecular formula C20H27N3O6S and molecular weight 437.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate, AO-022/43329328, Methyl 4,5-dimethoxy-2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate, methyl 4,5-dimethoxy-2-(4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamido)benzoate, methyl 4,5-dimethoxy-2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzoate
| Molecular Formula | C20H27N3O6S |
|---|---|
| Molecular Weight | 437.16 g/mol |
| LogP | 1.5104 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.16205 |
| Heavy Atoms | 30 |
| Complexity | 803.9767 |
Chemical Identifiers
| CAS Number | 831236-79-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)OC |
Product Overview
methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate (CAS 831236-79-4), with molecular formula C20H27N3O6S and molecular weight 437.16 g/mol. IUPAC: methyl 4,5-dimethoxy-2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate
Property Insights of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate
The XLogP value of 1.5104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate. The TPSA of 89.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate 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 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate?
The CAS number of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate is 831236-79-4.
What is the molecular formula of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate?
The molecular formula of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate is C20H27N3O6S.
What is the molecular weight of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate?
The molecular weight of methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate is 437.16 g/mol.
Where can I buy methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate?
You can request a quote for methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}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 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,5-dimethoxy-2-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.