![[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate structure](/static/products/855/855987-19-8.png)
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate
TL;DR: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate (CAS 855987-19-8) is a chemical compound with molecular formula C11H8N2O5S and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate
Also Known As: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate|2-oxo-2-(1H-pyrrol-2-yl)ethyl 5-nitrothiophene-2-carboxylate|[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate|5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester|5-nitrothiophene-2-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester|MLS002251424|SMR000835695|cid_4848682
| Molecular Formula | C11H8N2O5S |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 2.0241 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.01538 |
| Heavy Atoms | 19 |
| Complexity | 616.82886 |
Chemical Identifiers
| CAS Number | 855987-19-8 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate (CAS 855987-19-8), with molecular formula C11H8N2O5S and molecular weight 280.02 g/mol. IUPAC: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate
Property Insights of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate
The XLogP value of 2.0241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate?
The CAS number of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate is 855987-19-8.
What is the molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate?
The molecular formula of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate is C11H8N2O5S.
What is the molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate?
The molecular weight of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate is 280.02 g/mol.
Where can I buy [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate?
You can request a quote for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.