ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate
TL;DR: ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate (CAS 831216-62-7) is a chemical compound with molecular formula C19H26N2O6S and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate
Also Known As: ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate, ethyl 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate, ethyl 1-{[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]carbamothioyl}piperidine-4-carboxylate, methyl 2-({[4-(ethoxycarbonyl)piperidyl]thioxomethyl}amino)-4,5-dimethoxybenzo ate, ethyl 1-({[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]amino}carbonothioyl)-4-piperidinecarboxylate
| Molecular Formula | C19H26N2O6S |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 2.4623 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.15115 |
| Heavy Atoms | 28 |
| Complexity | 731.3792 |
Chemical Identifiers
| CAS Number | 831216-62-7 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC |
Product Overview
ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate (CAS 831216-62-7), with molecular formula C19H26N2O6S and molecular weight 410.15 g/mol. IUPAC: ethyl 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate.
Chemical Property Profile of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate
Property Insights of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate
The XLogP value of 2.4623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate 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 ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate?
The CAS number of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate is 831216-62-7.
What is the molecular formula of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate?
The molecular formula of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate is C19H26N2O6S.
What is the molecular weight of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate?
The molecular weight of ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate is 410.15 g/mol.
Where can I buy ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate?
You can request a quote for ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-((4,5-dimethoxy-2-(methoxycarbonyl)phenyl)carbamothioyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.