N-(Trifluoroacetyl)-dl-aspartic acid
TL;DR: N-(Trifluoroacetyl)-dl-aspartic acid (CAS 369-08-4) is a chemical compound with molecular formula C6H6F3NO5 and molecular weight 229.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2,2-trifluoroacetyl)amino]butanedioic acid
Also Known As: starbld0020138, 2-(Trifluoroacetamido)butanedioic acid, N-(Trifluoroacetyl)-dl-aspartic acid, N-(Trifluoroacetyl)aspartic acid, (2,2,2-Trifluoroacetyl)aspartic acid
| Molecular Formula | C6H6F3NO5 |
|---|---|
| Molecular Weight | 229.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0198 |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 369-08-4 |
|---|---|
| SMILES | C(C(C(=O)O)NC(=O)C(F)(F)F)C(=O)O |
| InChIKey | NTFULCXLYCSQIW-UHFFFAOYSA-N |
Product Overview
N-(Trifluoroacetyl)-dl-aspartic acid (CAS 369-08-4), with molecular formula C6H6F3NO5 and molecular weight 229.02 g/mol. IUPAC: 2-[(2,2,2-trifluoroacetyl)amino]butanedioic acid.
Chemical Property Profile of N-(Trifluoroacetyl)-dl-aspartic acid
Property Insights of N-(Trifluoroacetyl)-dl-aspartic acid
The XLogP value of -0.2 indicates that N-(Trifluoroacetyl)-dl-aspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Trifluoroacetyl)-dl-aspartic acid. Following Lipinski's Rule of Five, N-(Trifluoroacetyl)-dl-aspartic acid has 3 hydrogen bond donor(s) and 8 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-(Trifluoroacetyl)-dl-aspartic acid?
The CAS number of N-(Trifluoroacetyl)-dl-aspartic acid is 369-08-4.
What is the molecular formula of N-(Trifluoroacetyl)-dl-aspartic acid?
The molecular formula of N-(Trifluoroacetyl)-dl-aspartic acid is C6H6F3NO5.
What is the molecular weight of N-(Trifluoroacetyl)-dl-aspartic acid?
The molecular weight of N-(Trifluoroacetyl)-dl-aspartic acid is 229.02 g/mol.
Where can I buy N-(Trifluoroacetyl)-dl-aspartic acid?
You can request a quote for N-(Trifluoroacetyl)-dl-aspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Trifluoroacetyl)-dl-aspartic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(Trifluoroacetyl)-dl-aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.