(5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
TL;DR: (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CAS 545429-94-5) is a chemical compound with molecular formula C15H14ClN5O3 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Also Known As: 2-(4-{5-chloro-2-nitrobenzoyl}-1-piperazinyl)pyrimidine, (5-chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone, 5-chloro-2-nitrophenyl 4-pyrimidin-2-ylpiperazinyl ketone, (5-chloro-2-nitrophenyl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
| Molecular Formula | C15H14ClN5O3 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.0006 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.07852 |
| Heavy Atoms | 24 |
| Complexity | 762.9598 |
Chemical Identifiers
| CAS Number | 545429-94-5 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
(5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CAS 545429-94-5), with molecular formula C15H14ClN5O3 and molecular weight 347.08 g/mol. IUPAC: (5-chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
Chemical Property Profile of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Property Insights of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
The XLogP value of 2.0006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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 (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The CAS number of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is 545429-94-5.
What is the molecular formula of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The molecular formula of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is C15H14ClN5O3.
What is the molecular weight of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The molecular weight of (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is 347.08 g/mol.
Where can I buy (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
You can request a quote for (5-Chloro-2-nitrophenyl)-(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 (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.