ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 587010-24-0) is a chemical compound with molecular formula C20H28N4O3 and molecular weight 372.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 1-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C20H28N4O3 |
|---|---|
| Molecular Weight | 372.22 g/mol |
| LogP | 1.4473 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.21616 |
| Heavy Atoms | 27 |
| Complexity | 711.19684 |
Chemical Identifiers
| CAS Number | 587010-24-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3CCN(CC3)C |
Product Overview
ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 587010-24-0), with molecular formula C20H28N4O3 and molecular weight 372.22 g/mol. IUPAC: ethyl 3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.4473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 587010-24-0.
What is the molecular formula of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C20H28N4O3.
What is the molecular weight of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 372.22 g/mol.
Where can I buy ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-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 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-6-((4-methylpiperazin-1-yl)methyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.