(2,8-Dimethyl-quinolin-4-yloxy)-acetic acid
TL;DR: (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid (CAS 123452-95-9) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,8-dimethylquinolin-4-yl)oxyacetic acid
Also Known As: (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid, 2-((2,8-Dimethylquinolin-4-yl)oxy)acetic acid, BAS 00218009, 2-(2,8-dimethylquinolin-4-yl)oxyacetic acid, 2-(2,8-dimethyl-4-quinolyloxy)acetic acid
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 123452-95-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=CC(=N2)C)OCC(=O)O |
| InChIKey | CXMXXTAIGYFCOE-UHFFFAOYSA-N |
Product Overview
(2,8-Dimethyl-quinolin-4-yloxy)-acetic acid (CAS 123452-95-9), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-(2,8-dimethylquinolin-4-yl)oxyacetic acid.
Chemical Property Profile of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid
Property Insights of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid. With a topological polar surface area (TPSA) of 59.4 Ų, (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,8-Dimethyl-quinolin-4-yloxy)-acetic 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 (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid?
The CAS number of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid is 123452-95-9.
What is the molecular formula of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid?
The molecular formula of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid is C13H13NO3.
What is the molecular weight of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid?
The molecular weight of (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid is 231.09 g/mol.
Where can I buy (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid?
You can request a quote for (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,8-Dimethyl-quinolin-4-yloxy)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.