butyl 2-oxo-1H-quinoline-4-carboxylate
TL;DR: butyl 2-oxo-1H-quinoline-4-carboxylate (CAS 39497-04-6) 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.
butyl 2-oxo-1H-quinoline-4-carboxylate
Also Known As: butyl 2-oxo-1H-quinoline-4-carboxylate, butyl 2-hydroxyquinoline-4-carboxylate, butyl 2-oxo-1,2-dihydro-4-quinolinecarboxylate, butyl 2-oxo-1,2-dihydroquinoline-4-carboxylate, AE-848/12124567
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 39497-04-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=O)NC2=CC=CC=C21 |
| InChIKey | VOTJGWSQELUWHD-UHFFFAOYSA-N |
Product Overview
butyl 2-oxo-1H-quinoline-4-carboxylate (CAS 39497-04-6), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: butyl 2-oxo-1H-quinoline-4-carboxylate.
Chemical Property Profile of butyl 2-oxo-1H-quinoline-4-carboxylate
Property Insights of butyl 2-oxo-1H-quinoline-4-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 2-oxo-1H-quinoline-4-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, butyl 2-oxo-1H-quinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl 2-oxo-1H-quinoline-4-carboxylate has 1 hydrogen bond donor(s) and 3 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 butyl 2-oxo-1H-quinoline-4-carboxylate?
The CAS number of butyl 2-oxo-1H-quinoline-4-carboxylate is 39497-04-6.
What is the molecular formula of butyl 2-oxo-1H-quinoline-4-carboxylate?
The molecular formula of butyl 2-oxo-1H-quinoline-4-carboxylate is C14H15NO3.
What is the molecular weight of butyl 2-oxo-1H-quinoline-4-carboxylate?
The molecular weight of butyl 2-oxo-1H-quinoline-4-carboxylate is 245.11 g/mol.
Where can I buy butyl 2-oxo-1H-quinoline-4-carboxylate?
You can request a quote for butyl 2-oxo-1H-quinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 2-oxo-1H-quinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-oxo-1H-quinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.