Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate
TL;DR: Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate (CAS 93514-84-2) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate, ethyl 5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylate, ethyl 5,7-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate, 4-Hydroxy-5,7-dimethyl-quinoline-3-carboxylic acid ethyl ester, BAS 00440744
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 93514-84-2 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=CC(=CC(=C2C1=O)C)C |
| InChIKey | OQQHMUNGHJABQY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate (CAS 93514-84-2), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl 5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate
Property Insights of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate 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 Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate?
The CAS number of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate is 93514-84-2.
What is the molecular formula of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate?
The molecular formula of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate is C14H15NO3.
What is the molecular weight of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate?
The molecular weight of Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate is 245.11 g/mol.
Where can I buy Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate?
You can request a quote for Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-5,7-dimethylquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.