Ethyl 5-nitrothiophene-2-carboxylate
TL;DR: Ethyl 5-nitrothiophene-2-carboxylate (CAS 5751-84-8) is a chemical compound with molecular formula C7H7NO4S and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-nitrothiophene-2-carboxylate
Also Known As: ethyl 5-nitrothiophene-2-carboxylate, Ethyl 5-nitro-2-thiophenecarboxylate, ethyl5-nitrothiophene-2-carboxylate, ethyl-5-nitro-2-thiophenecarboxylate, 5-nitrothiophene-2-carboxylic acid ethyl ester
| Molecular Formula | C7H7NO4S |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.00958 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 5751-84-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(S1)[N+](=O)[O-] |
| InChIKey | COLIROLDWDCDLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-nitrothiophene-2-carboxylate (CAS 5751-84-8), with molecular formula C7H7NO4S and molecular weight 201.01 g/mol. IUPAC: ethyl 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-nitrothiophene-2-carboxylate
Property Insights of Ethyl 5-nitrothiophene-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-nitrothiophene-2-carboxylate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-nitrothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 Ethyl 5-nitrothiophene-2-carboxylate?
The CAS number of Ethyl 5-nitrothiophene-2-carboxylate is 5751-84-8.
What is the molecular formula of Ethyl 5-nitrothiophene-2-carboxylate?
The molecular formula of Ethyl 5-nitrothiophene-2-carboxylate is C7H7NO4S.
What is the molecular weight of Ethyl 5-nitrothiophene-2-carboxylate?
The molecular weight of Ethyl 5-nitrothiophene-2-carboxylate is 201.01 g/mol.
Where can I buy Ethyl 5-nitrothiophene-2-carboxylate?
You can request a quote for 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 Ethyl 5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.