1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one
TL;DR: 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one (CAS 69837-07-6) is a chemical compound with molecular formula C13H9NO3S and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-nitrophenyl)-3-thiophen-2-ylprop-2-en-1-one
Also Known As: 1-(4-Nitrophenyl)-3-(2-thienyl)-prop-2-en-1-one, 1-(4-Nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one, 4'-Nitro-3-(2-thienyl)acrylophenone, 2'-Thienylidene-4-nitroacetophenone, KST-1B6169
| Molecular Formula | C13H9NO3S |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 3.5524 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0303 |
| Heavy Atoms | 18 |
| Complexity | 585.20874 |
Chemical Identifiers
| CAS Number | 69837-07-6 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one (CAS 69837-07-6), with molecular formula C13H9NO3S and molecular weight 259.03 g/mol. IUPAC: (E)-1-(4-nitrophenyl)-3-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one
Property Insights of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one
The XLogP value of 3.5524 indicates that 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one 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 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one 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 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one?
The CAS number of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one is 69837-07-6.
What is the molecular formula of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one?
The molecular formula of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one is C13H9NO3S.
What is the molecular weight of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one?
The molecular weight of 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one is 259.03 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one?
You can request a quote for 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one 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)-3-(2-thienyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.