Butyl 2-(2,2,2-trifluoroethoxy)nicotinate
TL;DR: Butyl 2-(2,2,2-trifluoroethoxy)nicotinate (CAS 680213-93-8) is a chemical compound with molecular formula C12H14F3NO3 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
Also Known As: Butyl 2-(2,2,2-trifluoroethoxy)nicotinate, butyl 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate, Butyl 2-(2,2,2-trifluoroethoxy)nicotinate #, Pyridine-3-carboxylic acid, 2-(2,2,2-trifluoroethoxy)-, butyl ester
| Molecular Formula | C12H14F3NO3 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.0926 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 680213-93-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(N=CC=C1)OCC(F)(F)F |
| InChIKey | DGHTXGFTNFSWIY-UHFFFAOYSA-N |
Product Overview
Butyl 2-(2,2,2-trifluoroethoxy)nicotinate (CAS 680213-93-8), with molecular formula C12H14F3NO3 and molecular weight 277.09 g/mol. IUPAC: butyl 2-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.
Chemical Property Profile of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate
Property Insights of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate
The XLogP value of 3.4 indicates that Butyl 2-(2,2,2-trifluoroethoxy)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, Butyl 2-(2,2,2-trifluoroethoxy)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-(2,2,2-trifluoroethoxy)nicotinate has 0 hydrogen bond donor(s) and 7 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-(2,2,2-trifluoroethoxy)nicotinate?
The CAS number of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate is 680213-93-8.
What is the molecular formula of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate?
The molecular formula of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate is C12H14F3NO3.
What is the molecular weight of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate?
The molecular weight of Butyl 2-(2,2,2-trifluoroethoxy)nicotinate is 277.09 g/mol.
Where can I buy Butyl 2-(2,2,2-trifluoroethoxy)nicotinate?
You can request a quote for Butyl 2-(2,2,2-trifluoroethoxy)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-(2,2,2-trifluoroethoxy)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-(2,2,2-trifluoroethoxy)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.