![2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate structure](/static/products/5386/5386-46-9.webp)
2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate
TL;DR: 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate (CAS 5386-46-9) is a chemical compound with molecular formula C15H18F3N3O5 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate
Also Known As: 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate, [2-oxo-2-(propan-2-ylamino)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate
| Molecular Formula | C15H18F3N3O5 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 2.4818 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.11984 |
| Heavy Atoms | 26 |
| Complexity | 691.5948 |
Chemical Identifiers
| CAS Number | 5386-46-9 |
|---|---|
| SMILES | CC(C)NC(=O)COC(=O)C(C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate (CAS 5386-46-9), with molecular formula C15H18F3N3O5 and molecular weight 377.12 g/mol. IUPAC: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate.
Chemical Property Profile of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate
Property Insights of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate
The XLogP value of 2.4818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate. Following Lipinski's Rule of Five, 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate has 2 hydrogen bond donor(s) and 6 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 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate?
The CAS number of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate is 5386-46-9.
What is the molecular formula of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate?
The molecular formula of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate is C15H18F3N3O5.
What is the molecular weight of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate?
The molecular weight of 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate is 377.12 g/mol.
Where can I buy 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate?
You can request a quote for 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-[(propan-2-yl)amino]ethyl N-[2-nitro-4-(trifluoromethyl)phenyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.