Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate
TL;DR: Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate (CAS 37497-84-0) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-oxo-2H-isoquinoline-4-carboxylate
Also Known As: methyl 1-oxo-1,2-dihydroisoquinoline-4-carboxylate, methyl 1-oxo-2H-isoquinoline-4-carboxylate, methyl 1-oxo-1,2-dihydro-4-isoquinolinecarboxylate, Bionet2_001438, 1-Hydroxy-isoquinoline-4-carboxylic acid methyl ester
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 37497-84-0 |
|---|---|
| SMILES | COC(=O)C1=CNC(=O)C2=CC=CC=C21 |
| InChIKey | HLIJPUALSQELGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate (CAS 37497-84-0), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: methyl 1-oxo-2H-isoquinoline-4-carboxylate.
Chemical Property Profile of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate
Property Insights of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate has 1 hydrogen bond donor(s) and 3 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 1-Oxo-2H-Isoquinoline-4-Carboxylate?
The CAS number of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate is 37497-84-0.
What is the molecular formula of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate?
The molecular formula of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate is C11H9NO3.
What is the molecular weight of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate?
The molecular weight of Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate is 203.06 g/mol.
Where can I buy Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate?
You can request a quote for Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-Oxo-2H-Isoquinoline-4-Carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.