Methyl 3-isoquinolin-4-YL-acrylate
TL;DR: Methyl 3-isoquinolin-4-YL-acrylate (CAS 477250-22-9) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-isoquinolin-4-ylprop-2-enoate
Also Known As: Bionet2_001155, 4-Chloro-N-methylbenzenesulphonamide, methyl 3-isoquinolin-4-ylprop-2-enoate, Methyl (2E)-3-(4-isoquinolinyl)acrylate, METHYL 3-ISOQUINOLIN-4-YL-ACRYLATE
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.421 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 541.12885 |
Chemical Identifiers
| CAS Number | 477250-22-9 |
|---|---|
| SMILES | COC(=O)C=CC1=CN=CC2=CC=CC=C21 |
Product Overview
Methyl 3-isoquinolin-4-YL-acrylate (CAS 477250-22-9), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: methyl 3-isoquinolin-4-ylprop-2-enoate.
Chemical Property Profile of Methyl 3-isoquinolin-4-YL-acrylate
Property Insights of Methyl 3-isoquinolin-4-YL-acrylate
The XLogP value of 2.421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-isoquinolin-4-YL-acrylate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 3-isoquinolin-4-YL-acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-isoquinolin-4-YL-acrylate 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 3-isoquinolin-4-YL-acrylate?
The CAS number of Methyl 3-isoquinolin-4-YL-acrylate is 477250-22-9.
What is the molecular formula of Methyl 3-isoquinolin-4-YL-acrylate?
The molecular formula of Methyl 3-isoquinolin-4-YL-acrylate is C13H11NO2.
What is the molecular weight of Methyl 3-isoquinolin-4-YL-acrylate?
The molecular weight of Methyl 3-isoquinolin-4-YL-acrylate is 213.08 g/mol.
Where can I buy Methyl 3-isoquinolin-4-YL-acrylate?
You can request a quote for Methyl 3-isoquinolin-4-YL-acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-isoquinolin-4-YL-acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-isoquinolin-4-YL-acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.