2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate
TL;DR: 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate (CAS 326886-41-3) is a chemical compound with molecular formula C13H8N2O7S and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-thiophen-2-ylethyl) 2,4-dinitrobenzoate
Also Known As: 2-oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate, (2-thenoyl)methyl 2,4-dinitrobenzoate, (2-oxo-2-thiophen-2-ylethyl) 2,4-dinitrobenzoate, 2-oxo-2-(2-thienyl)ethyl 2,4-dinitrobenzoate, F1018-1381
| Molecular Formula | C13H8N2O7S |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 2.6042 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.00522 |
| Heavy Atoms | 23 |
| Complexity | 785.6257 |
Chemical Identifiers
| CAS Number | 326886-41-3 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate (CAS 326886-41-3), with molecular formula C13H8N2O7S and molecular weight 336.01 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 2,4-dinitrobenzoate.
Chemical Property Profile of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate
Property Insights of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate
The XLogP value of 2.6042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate has 0 hydrogen bond donor(s) and 8 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-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate?
The CAS number of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate is 326886-41-3.
What is the molecular formula of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate?
The molecular formula of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate is C13H8N2O7S.
What is the molecular weight of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate?
The molecular weight of 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate is 336.01 g/mol.
Where can I buy 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate?
You can request a quote for 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate 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-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(thiophen-2-yl)ethyl 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.