ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
TL;DR: ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate (CAS 849543-30-2) is a chemical compound with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
Also Known As: ASN 15364893, ethyl 7-(trifluoromethyl)-1,2-dihydro-2-oxoquinoli, ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate, 2-Oxo-7-trifluoromethyl-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester, ETHYL 7-(TRIFLUOROMETHYL)-1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C13H10F3NO3 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.7236 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.06128 |
| Heavy Atoms | 20 |
| Complexity | 718.85364 |
Chemical Identifiers
| CAS Number | 849543-30-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C(C=C2)C(F)(F)F)NC1=O |
Product Overview
ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate (CAS 849543-30-2), with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol. IUPAC: ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate.
Chemical Property Profile of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
Property Insights of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
The XLogP value of 2.7236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-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 ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate?
The CAS number of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate is 849543-30-2.
What is the molecular formula of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate?
The molecular formula of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate is C13H10F3NO3.
What is the molecular weight of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate?
The molecular weight of ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate is 285.06 g/mol.
Where can I buy ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate?
You can request a quote for ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-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 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.