Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate (CAS 400076-27-9) is a chemical compound with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxylate
Also Known As: 11M-512S, ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate, ethyl 4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxylate, Ethyl 4-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidine-5-carboxylate
| Molecular Formula | C18H22N4O2 |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 2.0721 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1743 |
| Heavy Atoms | 24 |
| Complexity | 697.41986 |
Chemical Identifiers
| CAS Number | 400076-27-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C)C3=CC=CC=C3 |
Product Overview
Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate (CAS 400076-27-9), with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol. IUPAC: ethyl 4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate
The XLogP value of 2.0721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate. With a topological polar surface area (TPSA) of 58.56 Ų, Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate has 0 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 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate is 400076-27-9.
What is the molecular formula of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate is C18H22N4O2.
What is the molecular weight of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate is 326.17 g/mol.
Where can I buy Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate 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-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methylpiperazino)-2-phenyl-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.