Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate
TL;DR: Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate (CAS 945346-33-8) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
Also Known As: ethyl 3-(1-(thiophene-2-carbonyl)piperidine-4-carboxamido)benzoate, ethyl 3-({[1-(2-thienylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate, ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate, ethyl 3-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate, ETHYL 3-[1-(THIOPHENE-2-CARBONYL)PIPERIDINE-4-AMIDO]BENZOATE
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.4157 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 811.14905 |
Chemical Identifiers
| CAS Number | 945346-33-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3 |
Product Overview
Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate (CAS 945346-33-8), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: ethyl 3-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate
Property Insights of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate
The XLogP value of 3.4157 indicates that Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 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 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate?
The CAS number of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate is 945346-33-8.
What is the molecular formula of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate?
The molecular formula of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate is C20H22N2O4S.
What is the molecular weight of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate?
The molecular weight of Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate is 386.13 g/mol.
Where can I buy Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate?
You can request a quote for Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-({[1-(thiophen-2-ylcarbonyl)piperidin-4-yl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.