2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-
TL;DR: 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- (CAS 58235-87-3) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methylthiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-, 1-(5-methylthiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 3.86082 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 640.96564 |
Chemical Identifiers
| CAS Number | 58235-87-3 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- (CAS 58235-87-3), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 1-(5-methylthiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-
Property Insights of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-
The XLogP value of 3.86082 indicates that 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- 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-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- has 0 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 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-?
The CAS number of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- is 58235-87-3.
What is the molecular formula of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-?
The molecular formula of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- is C14H11NO3S.
What is the molecular weight of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-?
The molecular weight of 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- is 273.05 g/mol.
Where can I buy 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-?
You can request a quote for 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(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, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(5-methyl-2-thienyl)-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.