3-Acetyl-2-methylquinoline-4-carboxylic acid
TL;DR: 3-Acetyl-2-methylquinoline-4-carboxylic acid (CAS 845294-37-3) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-methylquinoline-4-carboxylic acid
Also Known As: 3-acetyl-2-methylquinoline-4-carboxylic acid, 5-fluoropyrimidine-2,4-diamine, 3-Acetyl-2-methyl-quinoline-4-carboxylic acid, BAS 02233909, 3-Acetyl-2-methylquinoline-4-carboxylicacid
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 845294-37-3 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1C(=O)C)C(=O)O |
| InChIKey | HIPCSIUQHLNUFA-UHFFFAOYSA-N |
Product Overview
3-Acetyl-2-methylquinoline-4-carboxylic acid (CAS 845294-37-3), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 3-acetyl-2-methylquinoline-4-carboxylic acid.
Chemical Property Profile of 3-Acetyl-2-methylquinoline-4-carboxylic acid
Property Insights of 3-Acetyl-2-methylquinoline-4-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2-methylquinoline-4-carboxylic acid. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-2-methylquinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Acetyl-2-methylquinoline-4-carboxylic 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-Acetyl-2-methylquinoline-4-carboxylic acid?
The CAS number of 3-Acetyl-2-methylquinoline-4-carboxylic acid is 845294-37-3.
What is the molecular formula of 3-Acetyl-2-methylquinoline-4-carboxylic acid?
The molecular formula of 3-Acetyl-2-methylquinoline-4-carboxylic acid is C13H11NO3.
What is the molecular weight of 3-Acetyl-2-methylquinoline-4-carboxylic acid?
The molecular weight of 3-Acetyl-2-methylquinoline-4-carboxylic acid is 229.07 g/mol.
Where can I buy 3-Acetyl-2-methylquinoline-4-carboxylic acid?
You can request a quote for 3-Acetyl-2-methylquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-methylquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-methylquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.