![Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate structure](/static/products/354/354773-85-6.png)
Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
TL;DR: Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate (CAS 354773-85-6) is a chemical compound with molecular formula C12H10ClF4NO3 and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
Also Known As: NCI60_030485, ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate, ethyl 2-chloro-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate, Ethyl 2-chloro-3,3,3-trifluoro-2-((4-fluorobenzoyl)amino)propanoate, ethyl 2-chloro-3,3,3-trifluoro-N-[(4-fluorophenyl)carbonyl]alaninate
| Molecular Formula | C12H10ClF4NO3 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.02853 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 354773-85-6 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)F)Cl |
| InChIKey | BTAZHJGXFSQBBF-UHFFFAOYSA-N |
Product Overview
Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate (CAS 354773-85-6), with molecular formula C12H10ClF4NO3 and molecular weight 327.03 g/mol. IUPAC: ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate.
Chemical Property Profile of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
Property Insights of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
The XLogP value of 3.2 indicates that Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate has 1 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-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate?
The CAS number of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate is 354773-85-6.
What is the molecular formula of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate?
The molecular formula of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate is C12H10ClF4NO3.
What is the molecular weight of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate?
The molecular weight of Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate is 327.03 g/mol.
Where can I buy Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate?
You can request a quote for Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.