methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate
TL;DR: methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate (CAS 67643-23-6) is a chemical compound with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate
Also Known As: methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate, 3-[hydroxy(methoxy)methylidene]-6-nitroisoquinoline-1,4-dione, (3Z)-3-[hydroxy(methoxy)methylidene]-6-nitroisoquinoline-1,4-dione, Methyl 4-hydroxy-6-nitro-1-oxo-1,2-dihydroisoquinoline-3-carboxylate
| Molecular Formula | C11H8N2O6 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 0.9285 |
| Topological Polar Surface Area | 122.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.03824 |
| Heavy Atoms | 19 |
| Complexity | 748.6692 |
Chemical Identifiers
| CAS Number | 67643-23-6 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1)O |
Product Overview
methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate (CAS 67643-23-6), with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol. IUPAC: methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate.
Chemical Property Profile of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate
Property Insights of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate
The XLogP value of 0.9285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate. The TPSA of 122.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate?
The CAS number of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate is 67643-23-6.
What is the molecular formula of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate?
The molecular formula of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate is C11H8N2O6.
What is the molecular weight of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate?
The molecular weight of methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate is 264.04 g/mol.
Where can I buy methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate?
You can request a quote for methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-hydroxy-6-nitro-1-oxo-2H-isoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.