3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid
TL;DR: 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid (CAS 55329-76-5) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxy-7-methylisoquinolin-6-yl)propanoic acid
Also Known As: 3-(3-ethoxy-7-methylisoquinolin-6-yl)propanoic acid
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 55329-76-5 |
|---|---|
| SMILES | CCOC1=NC=C2C=C(C(=CC2=C1)CCC(=O)O)C |
| InChIKey | JYSSHVNYSMAHLP-UHFFFAOYSA-N |
Product Overview
3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid (CAS 55329-76-5), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 3-(3-ethoxy-7-methylisoquinolin-6-yl)propanoic acid.
Chemical Property Profile of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid
Property Insights of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid. With a topological polar surface area (TPSA) of 59.4 Ų, 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid has 1 hydrogen bond donor(s) and 4 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 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid?
The CAS number of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid is 55329-76-5.
What is the molecular formula of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid?
The molecular formula of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid is C15H17NO3.
What is the molecular weight of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid?
The molecular weight of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid is 259.12 g/mol.
Where can I buy 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid?
You can request a quote for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.