Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl
TL;DR: Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl (CAS 67479-04-3) is a chemical compound with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 1-(2-Pyrimidyl)-4-(trimethoxybenzoyl)piperazine, Piperazine, 1-(2-pyrimidyl)-4-(trimethoxybenzoyl)-, 5-25-10-00058 (Beilstein Handbook Reference), KETONE, 4-(2-PYRIMIDYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL, 4-(2-Pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl ketone
| Molecular Formula | C18H22N4O4 |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.1641 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 67479-04-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC=CC=N3 |
| InChIKey | WOLSMSIMKAGPTH-UHFFFAOYSA-N |
Product Overview
Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl (CAS 67479-04-3), with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol. IUPAC: (4-pyrimidin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl
Property Insights of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl. Following Lipinski's Rule of Five, Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl has 0 hydrogen bond donor(s) and 7 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 Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl?
The CAS number of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl is 67479-04-3.
What is the molecular formula of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl?
The molecular formula of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl is C18H22N4O4.
What is the molecular weight of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl?
The molecular weight of Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl is 358.16 g/mol.
Where can I buy Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl?
You can request a quote for Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 4-(2-pyrimidyl)piperazinyl 3,4,5-trimethoxyphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.