ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 727407-52-5) is a chemical compound with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-4-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate, ethyl 6-oxo-4-phenyl-2-piperidyl-3,4,5-trihydropyrimidine-5-carboxylate, ethyl 4-oxo-6-phenyl-2-piperidino-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate, ethyl 6-oxo-4-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 727407-52-5 |
|---|---|
| SMILES | CCOC(=O)C1C(N=C(NC1=O)N2CCCCC2)C3=CC=CC=C3 |
| InChIKey | LRKQBHOIUNSART-UHFFFAOYSA-N |
Product Overview
ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 727407-52-5), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: ethyl 6-oxo-4-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate 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-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate is 727407-52-5.
What is the molecular formula of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate is C18H23N3O3.
What is the molecular weight of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate is 329.17 g/mol.
Where can I buy ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-oxo-6-phenyl-2-(piperidin-1-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.