Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride
TL;DR: Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride (CAS 6287-76-9) is a chemical compound with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Also Known As: Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride, 4'-Nitro-3-(1-pyrrolidinyl)propiophenone hydrochloride, 1-(4-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride, 1-(4-Nitrophenyl)-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1), RefChem:375493
| Molecular Formula | C13H17ClN2O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 2.6852 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.09277 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 6287-76-9 |
|---|---|
| SMILES | C1CCN(C1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
| InChIKey | QFNBNQVPQQBFNR-UHFFFAOYSA-N |
Product Overview
Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride (CAS 6287-76-9), with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol. IUPAC: 1-(4-nitrophenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.
Chemical Property Profile of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride
Property Insights of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride
The XLogP value of 2.6852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride. Following Lipinski's Rule of Five, Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride 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-(1-pyrrolidinyl)-, monohydrochloride?
The CAS number of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride is 6287-76-9.
What is the molecular formula of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride?
The molecular formula of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride is C13H17ClN2O3.
What is the molecular weight of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride?
The molecular weight of Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride is 284.09 g/mol.
Where can I buy Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride?
You can request a quote for Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride 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-(1-pyrrolidinyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propiophenone, 4'-nitro-3-(1-pyrrolidinyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.