Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
TL;DR: Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate (CAS 73349-64-1) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-oxo-2-phenylisoquinoline-4-carboxylate
Also Known As: Bionet2_000272, methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate, methyl 1-oxo-2-phenylisoquinoline-4-carboxylate, methyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate, methyl 1-oxo-2-phenyl-isoquinoline-4-carboxylate
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.7773 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 866.08765 |
Chemical Identifiers
| CAS Number | 73349-64-1 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate (CAS 73349-64-1), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: methyl 1-oxo-2-phenylisoquinoline-4-carboxylate.
Chemical Property Profile of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
Property Insights of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
The XLogP value of 2.7773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate has 0 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-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate?
The CAS number of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate is 73349-64-1.
What is the molecular formula of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular formula of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate is C17H13NO3.
What is the molecular weight of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular weight of Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate is 279.09 g/mol.
Where can I buy Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate?
You can request a quote for Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate 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-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-oxo-2-phenyl-1,2-dihydro-4-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.