2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-
TL;DR: 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- (CAS 13909-56-3) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 4-Methyl-4'-nitrochalcone, 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-, 3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one, NCI60_006239, 1-(4-Nitrophenyl)-3-(p-tolyl)prop-2-en-1-one
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 13909-56-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SBRXCTYIGBXNJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- (CAS 13909-56-3), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-
Property Insights of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-
The XLogP value of 3.3 indicates that 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- 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 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-?
The CAS number of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- is 13909-56-3.
What is the molecular formula of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-?
The molecular formula of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- is C16H13NO3.
What is the molecular weight of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-?
The molecular weight of 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- is 267.09 g/mol.
Where can I buy 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-?
You can request a quote for 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.