Methyl 2-(isoquinolin-1-YL)acetate
TL;DR: Methyl 2-(isoquinolin-1-YL)acetate (CAS 69582-93-0) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isoquinolin-1-ylacetate
Also Known As: METHYL 2-(ISOQUINOLIN-1-YL)ACETATE, Methyl 2-isoquinolin-1-ylacetate, 1-Isoquinolineacetic acid methyl ester, methyl 1-isoquinolylacetate, methoxycarbonylmethylisoquinoline
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 69582-93-0 |
|---|---|
| SMILES | COC(=O)CC1=NC=CC2=CC=CC=C21 |
| InChIKey | OGVLKYKVZIKHLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(isoquinolin-1-YL)acetate (CAS 69582-93-0), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: methyl 2-isoquinolin-1-ylacetate.
Chemical Property Profile of Methyl 2-(isoquinolin-1-YL)acetate
Property Insights of Methyl 2-(isoquinolin-1-YL)acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(isoquinolin-1-YL)acetate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 2-(isoquinolin-1-YL)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(isoquinolin-1-YL)acetate 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-(isoquinolin-1-YL)acetate?
The CAS number of Methyl 2-(isoquinolin-1-YL)acetate is 69582-93-0.
What is the molecular formula of Methyl 2-(isoquinolin-1-YL)acetate?
The molecular formula of Methyl 2-(isoquinolin-1-YL)acetate is C12H11NO2.
What is the molecular weight of Methyl 2-(isoquinolin-1-YL)acetate?
The molecular weight of Methyl 2-(isoquinolin-1-YL)acetate is 201.08 g/mol.
Where can I buy Methyl 2-(isoquinolin-1-YL)acetate?
You can request a quote for Methyl 2-(isoquinolin-1-YL)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(isoquinolin-1-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(isoquinolin-1-YL)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.