1-(4-Nitrophenyl)-1-propanone
TL;DR: 1-(4-Nitrophenyl)-1-propanone (CAS 3758-70-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)propan-1-one
Also Known As: 1-(4-nitrophenyl)propan-1-one, p-Nitropropiophenone, 1-(4-Nitrophenyl)-1-propanone, Propiophenone, 4'-nitro-, 4 -Nitropropiophenone
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 3758-70-1 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QHTSEJJUUBOESF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitrophenyl)-1-propanone (CAS 3758-70-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 1-(4-nitrophenyl)propan-1-one.
Chemical Property Profile of 1-(4-Nitrophenyl)-1-propanone
Property Insights of 1-(4-Nitrophenyl)-1-propanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-1-propanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-1-propanone. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-1-propanone has 0 hydrogen bond donor(s) and 3 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-(4-Nitrophenyl)-1-propanone?
The CAS number of 1-(4-Nitrophenyl)-1-propanone is 3758-70-1.
What is the molecular formula of 1-(4-Nitrophenyl)-1-propanone?
The molecular formula of 1-(4-Nitrophenyl)-1-propanone is C9H9NO3.
What is the molecular weight of 1-(4-Nitrophenyl)-1-propanone?
The molecular weight of 1-(4-Nitrophenyl)-1-propanone is 179.06 g/mol.
Where can I buy 1-(4-Nitrophenyl)-1-propanone?
You can request a quote for 1-(4-Nitrophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.