ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate
TL;DR: ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate (CAS 55329-69-6) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate
Also Known As: ETHYL2- ACETATE, ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate, 6-Carbethoxymethyl-3-hydroxy-7-methyl-isochinolin, Ethyl (7-methyl-3-oxo-2,3-dihydroisoquinolin-6-yl)acetate
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 55329-69-6 |
|---|---|
| SMILES | CCOC(=O)CC1=CC2=CC(=O)NC=C2C=C1C |
| InChIKey | XFFJHUZJYOTQQY-UHFFFAOYSA-N |
Product Overview
ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate (CAS 55329-69-6), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate.
Chemical Property Profile of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate
Property Insights of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate 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 ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate?
The CAS number of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate is 55329-69-6.
What is the molecular formula of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate?
The molecular formula of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate is C14H15NO3.
What is the molecular weight of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate?
The molecular weight of ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate is 245.11 g/mol.
Where can I buy ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate?
You can request a quote for ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(7-methyl-3-oxo-2H-isoquinolin-6-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.