3-Nitrochalcone
TL;DR: 3-Nitrochalcone (CAS 614-48-2) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one
Also Known As: 3-Nitrochalcone, 3-nitrobenzalacetophenone, Chalcone, 3-nitro-, 3-Nitrobenzylideneacetophenone, 3-(3-nitrophenyl)-1-phenylprop-2-en-1-one
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 614-48-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | SMFBODMWKWBFOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrochalcone (CAS 614-48-2), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 3-(3-nitrophenyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3-Nitrochalcone
Property Insights of 3-Nitrochalcone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrochalcone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrochalcone. Following Lipinski's Rule of Five, 3-Nitrochalcone 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 3-Nitrochalcone?
The CAS number of 3-Nitrochalcone is 614-48-2.
What is the molecular formula of 3-Nitrochalcone?
The molecular formula of 3-Nitrochalcone is C15H11NO3.
What is the molecular weight of 3-Nitrochalcone?
The molecular weight of 3-Nitrochalcone is 253.07 g/mol.
Where can I buy 3-Nitrochalcone?
You can request a quote for 3-Nitrochalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrochalcone?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrochalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.