Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate
TL;DR: Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate (CAS 328918-08-7) is a chemical compound with molecular formula C7H9ClF3NO3 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-chloro-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate, ethyl 2-chloro-2-acetamido-3,3,3-trifluoropropanoate, ethyl 2-acetamido-2-chloro-3,3,3-trifluoropropanoate
| Molecular Formula | C7H9ClF3NO3 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 1.183 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.02231 |
| Heavy Atoms | 15 |
| Complexity | 268.69626 |
Chemical Identifiers
| CAS Number | 328918-08-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C)Cl |
Product Overview
Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate (CAS 328918-08-7), with molecular formula C7H9ClF3NO3 and molecular weight 247.02 g/mol. IUPAC: ethyl 2-acetamido-2-chloro-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate
Property Insights of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate
The XLogP value of 1.183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate has 1 hydrogen bond donor(s) and 3 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-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate?
The CAS number of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate is 328918-08-7.
What is the molecular formula of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate?
The molecular formula of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate is C7H9ClF3NO3.
What is the molecular weight of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate?
The molecular weight of Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate is 247.02 g/mol.
Where can I buy Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate?
You can request a quote for Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetylamino)-2-chloro-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.