Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate
TL;DR: Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate (CAS 317844-12-5) is a chemical compound with molecular formula C21H23F3N2O3 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-3,3,3-trifluoro-2-(4-propan-2-ylanilino)propanoate
Also Known As: ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate, ethyl 2-benzamido-3,3,3-trifluoro-2-(4-propan-2-ylanilino)propanoate, ethyl 3,3,3-trifluoro-N-(phenylcarbonyl)-2-{[4-(propan-2-yl)phenyl]amino}alaninate
| Molecular Formula | C21H23F3N2O3 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 4.4736 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.16608 |
| Heavy Atoms | 29 |
| Complexity | 836.4999 |
Chemical Identifiers
| CAS Number | 317844-12-5 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(C)C)NC(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate (CAS 317844-12-5), with molecular formula C21H23F3N2O3 and molecular weight 408.17 g/mol. IUPAC: ethyl 2-benzamido-3,3,3-trifluoro-2-(4-propan-2-ylanilino)propanoate.
Chemical Property Profile of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate
Property Insights of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate
The XLogP value of 4.4736 indicates that Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate has 2 hydrogen bond donor(s) and 4 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-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate?
The CAS number of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate is 317844-12-5.
What is the molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate?
The molecular formula of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate is C21H23F3N2O3.
What is the molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate?
The molecular weight of Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate is 408.17 g/mol.
Where can I buy Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate?
You can request a quote for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)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-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-3,3,3-trifluoro-2-((4-isopropylphenyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.