Ethyl 2-hydroxy-3,5-dinitrobenzoate
TL;DR: Ethyl 2-hydroxy-3,5-dinitrobenzoate (CAS 22557-74-0) is a chemical compound with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-3,5-dinitrobenzoate
Also Known As: ethyl 2-hydroxy-3,5-dinitrobenzoate, ethyl 3,5-dinitrosalicylate, Ethyl 3,5-dinitro salicylate, Ethyl 2-hydroxy-3,5-dinitro-benzoate, 2-Hydroxy-3,5-dinitrobenzoic acid ethyl ester
| Molecular Formula | C9H8N2O7 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.3853 |
| Topological Polar Surface Area | 132.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.03314 |
| Heavy Atoms | 18 |
| Complexity | 525.8926 |
Chemical Identifiers
| CAS Number | 22557-74-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
Ethyl 2-hydroxy-3,5-dinitrobenzoate (CAS 22557-74-0), with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol. IUPAC: ethyl 2-hydroxy-3,5-dinitrobenzoate.
Chemical Property Profile of Ethyl 2-hydroxy-3,5-dinitrobenzoate
Property Insights of Ethyl 2-hydroxy-3,5-dinitrobenzoate
The XLogP value of 1.3853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-hydroxy-3,5-dinitrobenzoate. The TPSA of 132.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-hydroxy-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Ethyl 2-hydroxy-3,5-dinitrobenzoate 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 Ethyl 2-hydroxy-3,5-dinitrobenzoate?
The CAS number of Ethyl 2-hydroxy-3,5-dinitrobenzoate is 22557-74-0.
What is the molecular formula of Ethyl 2-hydroxy-3,5-dinitrobenzoate?
The molecular formula of Ethyl 2-hydroxy-3,5-dinitrobenzoate is C9H8N2O7.
What is the molecular weight of Ethyl 2-hydroxy-3,5-dinitrobenzoate?
The molecular weight of Ethyl 2-hydroxy-3,5-dinitrobenzoate is 256.03 g/mol.
Where can I buy Ethyl 2-hydroxy-3,5-dinitrobenzoate?
You can request a quote for Ethyl 2-hydroxy-3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-hydroxy-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-hydroxy-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.