Methyl 3,5-dinitrosalicylate
TL;DR: Methyl 3,5-dinitrosalicylate (CAS 22633-33-6) is a chemical compound with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3,5-dinitrobenzoate
Also Known As: Methyl 3,5-dinitrosalicylate, methyl 2-hydroxy-3,5-dinitrobenzoate, 3, methyl ester, 4,6-Dinitroresocinol, Methyl3,5-dinitrosalicylate
| Molecular Formula | C8H6N2O7 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0175 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 22633-33-6 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | UMELTKSLWXJXNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,5-dinitrosalicylate (CAS 22633-33-6), with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol. IUPAC: methyl 2-hydroxy-3,5-dinitrobenzoate.
Chemical Property Profile of Methyl 3,5-dinitrosalicylate
Property Insights of Methyl 3,5-dinitrosalicylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,5-dinitrosalicylate. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-dinitrosalicylate. Following Lipinski's Rule of Five, Methyl 3,5-dinitrosalicylate 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 Methyl 3,5-dinitrosalicylate?
The CAS number of Methyl 3,5-dinitrosalicylate is 22633-33-6.
What is the molecular formula of Methyl 3,5-dinitrosalicylate?
The molecular formula of Methyl 3,5-dinitrosalicylate is C8H6N2O7.
What is the molecular weight of Methyl 3,5-dinitrosalicylate?
The molecular weight of Methyl 3,5-dinitrosalicylate is 242.02 g/mol.
Where can I buy Methyl 3,5-dinitrosalicylate?
You can request a quote for Methyl 3,5-dinitrosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-dinitrosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-dinitrosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.