2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate
TL;DR: 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate (CAS 326886-50-4) is a chemical compound with molecular formula C13H9NO6S and molecular weight 307.02 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-hydroxy-5-nitrobenzoate
Also Known As: (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-nitrobenzoate, 2-oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate, F1018-1390, (2-oxo-2-thiophen-2-yl-ethyl) 2-hydroxy-5-nitro-benzoate
| Molecular Formula | C13H9NO6S |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 2.4016 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.01505 |
| Heavy Atoms | 21 |
| Complexity | 694.69196 |
Chemical Identifiers
| CAS Number | 326886-50-4 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate (CAS 326886-50-4), with molecular formula C13H9NO6S and molecular weight 307.02 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-nitrobenzoate.
Chemical Property Profile of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate
Property Insights of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate
The XLogP value of 2.4016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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-hydroxy-5-nitrobenzoate?
The CAS number of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate is 326886-50-4.
What is the molecular formula of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate?
The molecular formula of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate is C13H9NO6S.
What is the molecular weight of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate?
The molecular weight of 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate is 307.02 g/mol.
Where can I buy 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate?
You can request a quote for 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate 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-hydroxy-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(thiophen-2-yl)ethyl 2-hydroxy-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.