Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate
TL;DR: Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate (CAS 329182-33-4) is a chemical compound with molecular formula C13H21F3N2O3 and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropanoate
Also Known As: ethyl N-acetyl-2-(cyclohexylamino)-3,3,3-trifluoroalaninate, ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropanoate, Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate, Ethyl 2-(acetylamino)-2-(cyclohexylamino)-3,3,3-trifluoropropanoate #, ETHYL 2-(CYCLOHEXYLAMINO)-2-ACETAMIDO-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C13H21F3N2O3 |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.15042 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 329182-33-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1CCCCC1)NC(=O)C |
| InChIKey | LGACQGXFILSXSW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate (CAS 329182-33-4), with molecular formula C13H21F3N2O3 and molecular weight 310.15 g/mol. IUPAC: ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate
Property Insights of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate has 2 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 Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate?
The CAS number of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate is 329182-33-4.
What is the molecular formula of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate?
The molecular formula of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate is C13H21F3N2O3.
What is the molecular weight of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate?
The molecular weight of Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate is 310.15 g/mol.
Where can I buy Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate?
You can request a quote for Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-2-(cyclohexylamino)-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.