3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid
TL;DR: 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid (CAS 337337-40-3) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-oxo-3-prop-2-enyl-1H-quinoline-6-carboxylic acid
Also Known As: BAS 01256737, 3-allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid, 3-allyl-4-hydroxy-2-methyl-6-quinolinecarboxylic acid, 3-Allyl-4-hydroxy-2-methyl-quinoline-6-carboxylic acid, 2-methyl-4-oxo-3-prop-2-enyl-1H-quinoline-6-carboxylic acid
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 337337-40-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)O)CC=C |
| InChIKey | WHQPHLFUQUQLHB-UHFFFAOYSA-N |
Product Overview
3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid (CAS 337337-40-3), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 2-methyl-4-oxo-3-prop-2-enyl-1H-quinoline-6-carboxylic acid.
Chemical Property Profile of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid
Property Insights of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid. Following Lipinski's Rule of Five, 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic 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 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid?
The CAS number of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid is 337337-40-3.
What is the molecular formula of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid?
The molecular formula of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid is C14H13NO3.
What is the molecular weight of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid?
The molecular weight of 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid is 243.09 g/mol.
Where can I buy 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid?
You can request a quote for 3-Allyl-4-hydroxy-2-methylquinoline-6-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-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-4-hydroxy-2-methylquinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.