Propiophenone, 4'-nitro-3-piperidino-, hydrochloride
TL;DR: Propiophenone, 4'-nitro-3-piperidino-, hydrochloride (CAS 893-53-8) is a chemical compound with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
Also Known As: Propiophenone, hydrochloride, 1-Propanone, monohydrochloride, Propiophenone, monohydrochloride, 4'-Nitro-3-piperidinopropiophenone hydrochloride, Propiophenone, 4'-nitro-3-piperidino-, hydrochloride
| Molecular Formula | C14H19ClN2O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 3.0753 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.10843 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 893-53-8 |
|---|---|
| SMILES | C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
| InChIKey | KKIUYXHNAHFHMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propiophenone, 4'-nitro-3-piperidino-, hydrochloride (CAS 893-53-8), with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol. IUPAC: 1-(4-nitrophenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride.
Chemical Property Profile of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride
Property Insights of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride
The XLogP value of 3.0753 indicates that Propiophenone, 4'-nitro-3-piperidino-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propiophenone, 4'-nitro-3-piperidino-, hydrochloride. Following Lipinski's Rule of Five, Propiophenone, 4'-nitro-3-piperidino-, hydrochloride has 1 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 Propiophenone, 4'-nitro-3-piperidino-, hydrochloride?
The CAS number of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride is 893-53-8.
What is the molecular formula of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride?
The molecular formula of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride is C14H19ClN2O3.
What is the molecular weight of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride?
The molecular weight of Propiophenone, 4'-nitro-3-piperidino-, hydrochloride is 298.11 g/mol.
Where can I buy Propiophenone, 4'-nitro-3-piperidino-, hydrochloride?
You can request a quote for Propiophenone, 4'-nitro-3-piperidino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiophenone, 4'-nitro-3-piperidino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propiophenone, 4'-nitro-3-piperidino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.