![1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone structure](/static/products/1024/1024018-70-9.webp)
1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone
TL;DR: 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone (CAS 1024018-70-9) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone
Also Known As: 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone, 1-(3-nitro-4-{4-[5-(thiophen-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}phenyl)ethan-1-one, 8X-0081, 1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone, 1-[3-nitro-4-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]phenyl]ethanone
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.633 |
| Topological Polar Surface Area | 92.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1004.3946 |
Chemical Identifiers
| CAS Number | 1024018-70-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=CS4)[N+](=O)[O-] |
Product Overview
1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone (CAS 1024018-70-9), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone.
Chemical Property Profile of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone
Property Insights of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone
The XLogP value of 4.633 indicates that 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone. Following Lipinski's Rule of Five, 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone has 1 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 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone?
The CAS number of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone is 1024018-70-9.
What is the molecular formula of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone?
The molecular formula of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone is C20H20N4O3S.
What is the molecular weight of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone?
The molecular weight of 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone is 396.13 g/mol.
Where can I buy 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone?
You can request a quote for 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-nitro-4-{4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidino}phenyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.