N~2~-(Trifluoroacetyl)asparagine
TL;DR: N~2~-(Trifluoroacetyl)asparagine (CAS 455-45-8) is a chemical compound with molecular formula C6H7F3N2O4 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: N~2~-(Trifluoroacetyl)asparagine, 3-carbamoyl-2-(trifluoroacetamido)propanoic acid, 4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
| Molecular Formula | C6H7F3N2O4 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.0358 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 455-45-8 |
|---|---|
| SMILES | C(C(C(=O)O)NC(=O)C(F)(F)F)C(=O)N |
| InChIKey | BJMXKMSTCRAHAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N~2~-(Trifluoroacetyl)asparagine (CAS 455-45-8), with molecular formula C6H7F3N2O4 and molecular weight 228.04 g/mol. IUPAC: 4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
Chemical Property Profile of N~2~-(Trifluoroacetyl)asparagine
Property Insights of N~2~-(Trifluoroacetyl)asparagine
The XLogP value of -0.6 indicates that N~2~-(Trifluoroacetyl)asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(Trifluoroacetyl)asparagine. Following Lipinski's Rule of Five, N~2~-(Trifluoroacetyl)asparagine has 3 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 N~2~-(Trifluoroacetyl)asparagine?
The CAS number of N~2~-(Trifluoroacetyl)asparagine is 455-45-8.
What is the molecular formula of N~2~-(Trifluoroacetyl)asparagine?
The molecular formula of N~2~-(Trifluoroacetyl)asparagine is C6H7F3N2O4.
What is the molecular weight of N~2~-(Trifluoroacetyl)asparagine?
The molecular weight of N~2~-(Trifluoroacetyl)asparagine is 228.04 g/mol.
Where can I buy N~2~-(Trifluoroacetyl)asparagine?
You can request a quote for N~2~-(Trifluoroacetyl)asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-(Trifluoroacetyl)asparagine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(Trifluoroacetyl)asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.