dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate
TL;DR: dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate (CAS 831245-48-8) is a chemical compound with molecular formula C19H24N2O6S and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate, DIMETHYL 2-({[4-(ETHOXYCARBONYL)PIPERIDINO]CARBOTHIOYL}AMINO)TEREPHTHALATE, dimethyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate, methyl 2-({[4-(ethoxycarbonyl)piperidyl]thioxomethyl}amino)-4-(methoxycarbonyl )benzoate, dimethyl 2-({[4-(ethoxycarbonyl)piperidin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
| Molecular Formula | C19H24N2O6S |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 2.2317 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1355 |
| Heavy Atoms | 28 |
| Complexity | 758.7908 |
Chemical Identifiers
| CAS Number | 831245-48-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate (CAS 831245-48-8), with molecular formula C19H24N2O6S and molecular weight 408.14 g/mol. IUPAC: dimethyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate
Property Insights of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate
The XLogP value of 2.2317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)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-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate?
The CAS number of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate is 831245-48-8.
What is the molecular formula of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate?
The molecular formula of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate is C19H24N2O6S.
What is the molecular weight of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate?
The molecular weight of dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate is 408.14 g/mol.
Where can I buy dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate?
You can request a quote for dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)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-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(4-(ethoxycarbonyl)piperidine-1-carbothioamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.