Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate
TL;DR: Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate (CAS 327100-40-3) is a chemical compound with molecular formula C11H11F3N2O4 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-hydroxy-2-(pyridine-3-carbonylamino)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-hydroxy-2-(nicotinamido)propanoate, Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate, ethyl 3,3,3-trifluoro-2-hydroxy-N-(pyridin-3-ylcarbonyl)alaninate, ethyl 3,3,3-trifluoro-2-hydroxy-2-(3-pyridylcarbonylamino)propanoate, ethyl 3,3,3-trifluoro-2-hydroxy-2-(pyridine-3-carbonylamino)propanoate
| Molecular Formula | C11H11F3N2O4 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06708 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 327100-40-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CN=CC=C1)O |
| InChIKey | XLSNZNXIGXZYRF-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate (CAS 327100-40-3), with molecular formula C11H11F3N2O4 and molecular weight 292.07 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-hydroxy-2-(pyridine-3-carbonylamino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate
Property Insights of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate has 2 hydrogen bond donor(s) and 8 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 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate?
The CAS number of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate is 327100-40-3.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate is C11H11F3N2O4.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate is 292.07 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-hydroxy-2-nicotinamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.