![dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate structure](/static/products/895/895885-82-2.png)
dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
TL;DR: dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate (CAS 895885-82-2) is a chemical compound with molecular formula C20H25N3O6S and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate, Dimethyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-(4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamido)terephthalate, 2-{[4-(Tetrahydro-furan-2-carbonyl)-piperazine-1-carbothioyl]-amino}-terephthalic acid dimethyl ester, DIMETHYL 2-({[4-(TETRAHYDRO-2-FURANYLCARBONYL)PIPERAZINO]CARBOTHIOYL}AMINO)TEREPHTHALATE
| Molecular Formula | C20H25N3O6S |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 1.2798 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1464 |
| Heavy Atoms | 30 |
| Complexity | 831.83075 |
Chemical Identifiers
| CAS Number | 895885-82-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 |
Product Overview
dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate (CAS 895885-82-2), with molecular formula C20H25N3O6S and molecular weight 435.15 g/mol. IUPAC: dimethyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
Property Insights of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
The XLogP value of 1.2798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate 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 dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate?
The CAS number of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate is 895885-82-2.
What is the molecular formula of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate?
The molecular formula of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate is C20H25N3O6S.
What is the molecular weight of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate?
The molecular weight of dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate is 435.15 g/mol.
Where can I buy dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate?
You can request a quote for dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.