![Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate structure](/static/products/847/847477-79-6.png)
Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate
TL;DR: Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate (CAS 847477-79-6) is a chemical compound with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate, dimethyl 2-(4-(furan-2-carbonyl)piperazine-1-carbothioamido)terephthalate, dimethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate, methyl 3-({[4-(2-furylcarbonyl)piperazinyl]thioxomethyl}amino)-4-(methoxycarbo nyl)benzoate, 1,4-DIMETHYL 2-{[4-(FURAN-2-CARBONYL)PIPERAZINE-1-CARBOTHIOYL]AMINO}BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C20H21N3O6S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.0076 |
| Topological Polar Surface Area | 101.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1151 |
| Heavy Atoms | 30 |
| Complexity | 951.45636 |
Chemical Identifiers
| CAS Number | 847477-79-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3 |
Product Overview
Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate (CAS 847477-79-6), with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol. IUPAC: dimethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate
Property Insights of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate
The XLogP value of 2.0076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate. The TPSA of 101.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate 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-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
The CAS number of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate is 847477-79-6.
What is the molecular formula of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
The molecular formula of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate is C20H21N3O6S.
What is the molecular weight of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
The molecular weight of Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate is 431.12 g/mol.
Where can I buy Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
You can request a quote for Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate 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-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-({[4-(2-furoyl)piperazin-1-yl]carbonothioyl}amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.