ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate
TL;DR: ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate (CAS 432002-60-3) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-1-carboxylate
Also Known As: AQ-968/42007766, F0913-3373, ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate, ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-1-carboxylate, 4-(4-Oxo-2-thioxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carboxylic acid ethyl ester
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.85249 |
| Topological Polar Surface Area | 67.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 834.3147 |
Chemical Identifiers
| CAS Number | 432002-60-3 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate (CAS 432002-60-3), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)piperidine-1-carboxylate.
Chemical Property Profile of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate
Property Insights of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate
The XLogP value of 2.85249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate. The TPSA of 67.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate has 1 hydrogen bond donor(s) and 4 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 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate?
The CAS number of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate is 432002-60-3.
What is the molecular formula of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate?
The molecular formula of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate is C16H19N3O3S.
What is the molecular weight of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate?
The molecular weight of ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate is 333.11 g/mol.
Where can I buy ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate?
You can request a quote for ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.