ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 727385-42-4) is a chemical compound with molecular formula C24H28N4O3 and molecular weight 420.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate, ethyl 2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate, ethyl 6-oxo-4-phenyl-2-[4-benzylpiperazinyl]-3,4,5-trihydropyrimidine-5-carbox ylate, 2-(4-Benzyl-piperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
| Molecular Formula | C24H28N4O3 |
|---|---|
| Molecular Weight | 420.22 g/mol |
| LogP | 2.2106 |
| Topological Polar Surface Area | 74.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.21616 |
| Heavy Atoms | 31 |
| Complexity | 924.3553 |
Chemical Identifiers
| CAS Number | 727385-42-4 |
|---|---|
| SMILES | CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 727385-42-4), with molecular formula C24H28N4O3 and molecular weight 420.22 g/mol. IUPAC: ethyl 2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.2106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate. The TPSA of 74.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 6 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 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate is 727385-42-4.
What is the molecular formula of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate is C24H28N4O3.
What is the molecular weight of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate is 420.22 g/mol.
Where can I buy ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-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 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-benzylpiperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.