![Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate structure](/static/products/7082/708249-53-0.webp)
Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate (CAS 708249-53-0) 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 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-({[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-(4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamido)isophthalate, dimethyl 5-({[4-(tetrahydro-2-furanylcarbonyl)-1-piperazinyl]carbonothioyl}amino)isophthalate, DIMETHYL 5-({[4-(TETRAHYDRO-2-FURANYLCARBONYL)PIPERAZINO]CARBOTHIOYL}AMINO)ISOPHTHALATE
| 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 | 797.58075 |
Chemical Identifiers
| CAS Number | 708249-53-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C(=O)OC |
Product Overview
Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate (CAS 708249-53-0), with molecular formula C20H25N3O6S and molecular weight 435.15 g/mol. IUPAC: dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
The XLogP value of 1.2798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-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 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate is 708249-53-0.
What is the molecular formula of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate is C20H25N3O6S.
What is the molecular weight of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate is 435.15 g/mol.
Where can I buy Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.