Methyl 5-nitrosalicylate
TL;DR: Methyl 5-nitrosalicylate (CAS 17302-46-4) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-nitrobenzoate
Also Known As: methyl 2-hydroxy-5-nitrobenzoate, Methyl 5-nitrosalicylate, 5-nitrosalicylic acid methyl ester, methyl-5-nitrosalicylate, methyl 5-nitro-salicylate
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 17302-46-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O |
| InChIKey | UUBFELFUKFJSRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-nitrosalicylate (CAS 17302-46-4), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: methyl 2-hydroxy-5-nitrobenzoate.
Chemical Property Profile of Methyl 5-nitrosalicylate
Property Insights of Methyl 5-nitrosalicylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-nitrosalicylate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-nitrosalicylate. Following Lipinski's Rule of Five, Methyl 5-nitrosalicylate has 1 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 Methyl 5-nitrosalicylate?
The CAS number of Methyl 5-nitrosalicylate is 17302-46-4.
What is the molecular formula of Methyl 5-nitrosalicylate?
The molecular formula of Methyl 5-nitrosalicylate is C8H7NO5.
What is the molecular weight of Methyl 5-nitrosalicylate?
The molecular weight of Methyl 5-nitrosalicylate is 197.03 g/mol.
Where can I buy Methyl 5-nitrosalicylate?
You can request a quote for Methyl 5-nitrosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-nitrosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-nitrosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.