Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate
TL;DR: Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate (CAS 327098-24-8) is a chemical compound with molecular formula C13H14ClF3N2O3 and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropanoate, Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate, Ethyl 2-(acetylamino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate, ethyl N-acetyl-2-[(3-chlorophenyl)amino]-3,3,3-trifluoroalaninate, Ethyl 2-(acetylamino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate #
| Molecular Formula | C13H14ClF3N2O3 |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.0645 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 327098-24-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)Cl)NC(=O)C |
| InChIKey | AIVSOKBSSQFLFG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate (CAS 327098-24-8), with molecular formula C13H14ClF3N2O3 and molecular weight 338.06 g/mol. IUPAC: ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate
Property Insights of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate
The XLogP value of 3.8 indicates that Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-2-(3-chloroanilino)-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-(3-chloroanilino)-3,3,3-trifluoropropionate?
The CAS number of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate is 327098-24-8.
What is the molecular formula of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate?
The molecular formula of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate is C13H14ClF3N2O3.
What is the molecular weight of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate?
The molecular weight of Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate is 338.06 g/mol.
Where can I buy Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate?
You can request a quote for Ethyl 2-acetamido-2-(3-chloroanilino)-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-(3-chloroanilino)-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-2-(3-chloroanilino)-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.