(4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
TL;DR: (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CAS 445287-17-2) is a chemical compound with molecular formula C18H22N4O and molecular weight 310.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Also Known As: 2-[4-(4-isopropylbenzoyl)-1-piperazinyl]pyrimidine, (4-propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone, 4-(methylethyl)phenyl 4-pyrimidin-2-ylpiperazinyl ketone, [4-(propan-2-yl)phenyl][4-(pyrimidin-2-yl)piperazin-1-yl]methanone
| Molecular Formula | C18H22N4O |
|---|---|
| Molecular Weight | 310.18 g/mol |
| LogP | 2.5624 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.17935 |
| Heavy Atoms | 23 |
| Complexity | 646.4816 |
Chemical Identifiers
| CAS Number | 445287-17-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
(4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CAS 445287-17-2), with molecular formula C18H22N4O and molecular weight 310.18 g/mol. IUPAC: (4-propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
Chemical Property Profile of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Property Insights of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
The XLogP value of 2.5624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 49.33 Ų, (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has 0 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 (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The CAS number of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is 445287-17-2.
What is the molecular formula of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The molecular formula of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is C18H22N4O.
What is the molecular weight of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The molecular weight of (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is 310.18 g/mol.
Where can I buy (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
You can request a quote for (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Propan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.