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Isopropyl [(trifluoroacetyl)amino]acetate
TL;DR: Isopropyl [(trifluoroacetyl)amino]acetate (CAS 56936-67-5) is a chemical compound with molecular formula C7H10F3NO3 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate
Also Known As: Isopropyl [(trifluoroacetyl)amino]acetate, N-trifluoroacetyl glycine isopropylester, Glycine, N-trifluoroacetyl-, isopropyl ester, Glycine, trifluoroacetyl, isopropyl ester, propan-2-yl 2-(trifluoroacetamido)acetate
| Molecular Formula | C7H10F3NO3 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.06128 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 56936-67-5 |
|---|---|
| SMILES | CC(C)OC(=O)CNC(=O)C(F)(F)F |
| InChIKey | NMMHHNLBWAZRMW-UHFFFAOYSA-N |
Product Overview
Isopropyl [(trifluoroacetyl)amino]acetate (CAS 56936-67-5), with molecular formula C7H10F3NO3 and molecular weight 213.06 g/mol. IUPAC: propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
Chemical Property Profile of Isopropyl [(trifluoroacetyl)amino]acetate
Property Insights of Isopropyl [(trifluoroacetyl)amino]acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl [(trifluoroacetyl)amino]acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Isopropyl [(trifluoroacetyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl [(trifluoroacetyl)amino]acetate has 1 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 Isopropyl [(trifluoroacetyl)amino]acetate?
The CAS number of Isopropyl [(trifluoroacetyl)amino]acetate is 56936-67-5.
What is the molecular formula of Isopropyl [(trifluoroacetyl)amino]acetate?
The molecular formula of Isopropyl [(trifluoroacetyl)amino]acetate is C7H10F3NO3.
What is the molecular weight of Isopropyl [(trifluoroacetyl)amino]acetate?
The molecular weight of Isopropyl [(trifluoroacetyl)amino]acetate is 213.06 g/mol.
Where can I buy Isopropyl [(trifluoroacetyl)amino]acetate?
You can request a quote for Isopropyl [(trifluoroacetyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl [(trifluoroacetyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl [(trifluoroacetyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.