6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid
TL;DR: 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid (CAS 337337-54-9) is a chemical compound with molecular formula C13H12BrNO3 and molecular weight 309.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)propanoic acid
Also Known As: BAS 01256772, 3-(6-bromo-4-hydroxy-2-methylquinolin-3-yl)propanoic acid, 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid, 3-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)propanoic acid, 3-(6-bromo-4-hydroxy-2-methyl-3-quinolinyl)propanoic acid
| Molecular Formula | C13H12BrNO3 |
|---|---|
| Molecular Weight | 309.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.00006 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 337337-54-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)CCC(=O)O |
| InChIKey | KUELJXSOAHJEBT-UHFFFAOYSA-N |
Product Overview
6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid (CAS 337337-54-9), with molecular formula C13H12BrNO3 and molecular weight 309.00 g/mol. IUPAC: 3-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)propanoic acid.
Chemical Property Profile of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid
Property Insights of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid. Following Lipinski's Rule of Five, 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid has 2 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 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid?
The CAS number of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid is 337337-54-9.
What is the molecular formula of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid?
The molecular formula of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid is C13H12BrNO3.
What is the molecular weight of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid?
The molecular weight of 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid is 309.00 g/mol.
Where can I buy 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid?
You can request a quote for 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4-hydroxy-2-methyl-3-quinolinepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.