2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-
TL;DR: 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- (CAS 13736-56-6) 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.
1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 4'-METHYL-4-NITROCHALCONE, 1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one, 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-, 3-(4-nitrophenyl)-1-p-tolylprop-2-en-1-one, (E)-1-(4-methylphenyl)-3-(4-nitrophenyl)-2-propen-1-one
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.79932 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 655.1263 |
Chemical Identifiers
| CAS Number | 13736-56-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- (CAS 13736-56-6), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-
Property Insights of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-
The XLogP value of 3.79932 indicates that 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- 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, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-?
The CAS number of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- is 13736-56-6.
What is the molecular formula of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-?
The molecular formula of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- is C16H13NO3.
What is the molecular weight of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-?
The molecular weight of 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- is 267.09 g/mol.
Where can I buy 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-?
You can request a quote for 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- 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, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(4-methylphenyl)-3-(4-nitrophenyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.