Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
TL;DR: Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate (CAS 446276-02-4) is a chemical compound with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxylate
Also Known As: methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate, methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate, methyl 2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxylate, methylchlorophenyloxodihydroisoquinolinecarboxylate, Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4- isoquinolinecarboxylate
| Molecular Formula | C17H12ClNO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.4307 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.05057 |
| Heavy Atoms | 22 |
| Complexity | 913.3305 |
Chemical Identifiers
| CAS Number | 446276-02-4 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate (CAS 446276-02-4), with molecular formula C17H12ClNO3 and molecular weight 313.05 g/mol. IUPAC: methyl 2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxylate.
Chemical Property Profile of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
Property Insights of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
The XLogP value of 3.4307 indicates that Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-chlorophenyl)-1-oxo-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 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The CAS number of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is 446276-02-4.
What is the molecular formula of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular formula of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is C17H12ClNO3.
What is the molecular weight of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
The molecular weight of Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate is 313.05 g/mol.
Where can I buy Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
You can request a quote for Methyl 2-(4-chlorophenyl)-1-oxo-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 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chlorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.