Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 338960-11-5) is a chemical compound with molecular formula C15H13BrF3NO3 and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-bromophenyl)-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate, 5L-065, ethyl 4-(3-bromophenyl)-6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 4-(3-bromophenyl)-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate, ethyl 4-(3-bromophenyl)-6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate
| Molecular Formula | C15H13BrF3NO3 |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 3.4321 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.00308 |
| Heavy Atoms | 23 |
| Complexity | 670.1761 |
Chemical Identifiers
| CAS Number | 338960-11-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC(=CC=C2)Br)C(F)(F)F |
Product Overview
Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 338960-11-5), with molecular formula C15H13BrF3NO3 and molecular weight 391.00 g/mol. IUPAC: ethyl 4-(3-bromophenyl)-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 3.4321 indicates that Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-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 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate is 338960-11-5.
What is the molecular formula of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate is C15H13BrF3NO3.
What is the molecular weight of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate is 391.00 g/mol.
Where can I buy Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-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-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-bromophenyl)-6-oxo-2-(tfm)-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.