Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate
TL;DR: Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate (CAS 200879-78-3) is a chemical compound with molecular formula C16H13F4NO2 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate, ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
| Molecular Formula | C16H13F4NO2 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.39162 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.08823 |
| Heavy Atoms | 23 |
| Complexity | 724.09546 |
Chemical Identifiers
| CAS Number | 200879-78-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C=C1C(F)(F)F)C2=CC=C(C=C2)F)C |
Product Overview
Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate (CAS 200879-78-3), with molecular formula C16H13F4NO2 and molecular weight 327.09 g/mol. IUPAC: ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate
Property Insights of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate
The XLogP value of 4.39162 indicates that Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate has 0 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 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate?
The CAS number of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate is 200879-78-3.
What is the molecular formula of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate?
The molecular formula of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate is C16H13F4NO2.
What is the molecular weight of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate?
The molecular weight of Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate is 327.09 g/mol.
Where can I buy Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate?
You can request a quote for Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.