(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
TL;DR: (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one (CAS 476309-99-6) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
Also Known As: (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one, (2E)-3-(5-nitrothiophen-2-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one, (E)-3-(5-nitro-2-thienyl)-1-pyrrolidino-prop-2-en-1-one, (E)-3-(5-nitro-2-thiophenyl)-1-(1-pyrrolidinyl)-2-propen-1-one, (E)-3-(5-nitrothiophen-2-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.2919 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 461.03653 |
Chemical Identifiers
| CAS Number | 476309-99-6 |
|---|---|
| SMILES | C1CCN(C1)C(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one (CAS 476309-99-6), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one.
Chemical Property Profile of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
Property Insights of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
The XLogP value of 2.2919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-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 (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The CAS number of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one is 476309-99-6.
What is the molecular formula of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The molecular formula of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one is C11H12N2O3S.
What is the molecular weight of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The molecular weight of (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one is 252.06 g/mol.
Where can I buy (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
You can request a quote for (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.