Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate
TL;DR: Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate (CAS 200879-74-9) is a chemical compound with molecular formula C16H14F3NO2 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: starbld0024969, BAS 03153290, ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate, ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate, BRD-K82931168-001-01-8
| Molecular Formula | C16H14F3NO2 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.09766 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 200879-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C=C1C(F)(F)F)C2=CC=CC=C2)C |
| InChIKey | CKSVEVGOCMROCA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate (CAS 200879-74-9), with molecular formula C16H14F3NO2 and molecular weight 309.10 g/mol. IUPAC: ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate
Property Insights of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate
The XLogP value of 4.0 indicates that Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate has 0 hydrogen bond donor(s) and 6 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-methyl-6-phenyl-4-(trifluoromethyl)nicotinate?
The CAS number of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate is 200879-74-9.
What is the molecular formula of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate?
The molecular formula of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate is C16H14F3NO2.
What is the molecular weight of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate?
The molecular weight of Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate is 309.10 g/mol.
Where can I buy Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate?
You can request a quote for Ethyl 2-methyl-6-phenyl-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 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-6-phenyl-4-(trifluoromethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.