methanone structure](/static/products/3069/306977-48-0.webp)
[3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone
TL;DR: [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone (CAS 306977-48-0) is a chemical compound with molecular formula C18H17F3N4O3 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methanone
Also Known As: Bionet1_001856, [3-(4-methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone, 1-methyl-4-[2-(4-nitrobenzoyl)-5-(trifluoromethyl)pyridin-3-yl]piperazine, 12H-035, [3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-yl]-(4-nitrophenyl)methanone
| Molecular Formula | C18H17F3N4O3 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 2.9914 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.12527 |
| Heavy Atoms | 28 |
| Complexity | 891.9391 |
Chemical Identifiers
| CAS Number | 306977-48-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(N=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
[3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone (CAS 306977-48-0), with molecular formula C18H17F3N4O3 and molecular weight 394.13 g/mol. IUPAC: [3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methanone.
Chemical Property Profile of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone
Property Insights of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone
The XLogP value of 2.9914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone. The TPSA of 79.58 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone. Following Lipinski's Rule of Five, [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)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 [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone?
The CAS number of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone is 306977-48-0.
What is the molecular formula of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone?
The molecular formula of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone is C18H17F3N4O3.
What is the molecular weight of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone?
The molecular weight of [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone is 394.13 g/mol.
Where can I buy [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone?
You can request a quote for [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Methylpiperazino)-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.