2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-
TL;DR: 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)- (CAS 58235-90-8) is a chemical compound with molecular formula C13H8BrNO3S and molecular weight 336.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-, 3-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one, 4-bromo-5-chloro-furan-2-carboxylic acid methyl ester, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-prop-2-en-1-one
| Molecular Formula | C13H8BrNO3S |
|---|---|
| Molecular Weight | 336.94 g/mol |
| LogP | 4.3149 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.94083 |
| Heavy Atoms | 19 |
| Complexity | 646.16284 |
Chemical Identifiers
| CAS Number | 58235-90-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CC2=CC=C(S2)Br)[N+](=O)[O-] |
Product Overview
2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)- (CAS 58235-90-8), with molecular formula C13H8BrNO3S and molecular weight 336.94 g/mol. IUPAC: 3-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-
Property Insights of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-
The XLogP value of 4.3149 indicates that 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(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, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(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, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-?
The CAS number of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)- is 58235-90-8.
What is the molecular formula of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-?
The molecular formula of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)- is C13H8BrNO3S.
What is the molecular weight of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-?
The molecular weight of 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)- is 336.94 g/mol.
Where can I buy 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-?
You can request a quote for 2-Propen-1-one, 3-(5-bromo-2-thienyl)-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-(5-bromo-2-thienyl)-1-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.