Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate
TL;DR: Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate (CAS 97314-16-4) is a chemical compound with molecular formula C9H15F3N2O4S and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-acetylsulfanylethylamino)-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
Also Known As: Thioacetic acid S-2-(2-aminopropionamido)ethyl ester trifluoroacetate, ACETIC ACID, THIO-, S-2-(2-AMINOPROPIONAMIDO)ETHYL ESTER, TRIFLUOROACETATE, [1-(2-acetylsulfanylethylamino)-1-oxopropan-2-yl]azanium; 2,2,2-trifluoroacetate, RefChem:316700
| Molecular Formula | C9H15F3N2O4S |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | -1.69 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.07047 |
| Heavy Atoms | 19 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 97314-16-4 |
|---|---|
| SMILES | CC(C(=O)NCCSC(=O)C)[NH3+].C(=O)(C(F)(F)F)[O-] |
| InChIKey | IPTMVQLGEBQCLR-UHFFFAOYSA-N |
Product Overview
Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate (CAS 97314-16-4), with molecular formula C9H15F3N2O4S and molecular weight 304.07 g/mol. IUPAC: [1-(2-acetylsulfanylethylamino)-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate
Property Insights of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate
The XLogP value of -1.69 indicates that Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate. Following Lipinski's Rule of Five, Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate has 2 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 Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate?
The CAS number of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate is 97314-16-4.
What is the molecular formula of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate?
The molecular formula of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate is C9H15F3N2O4S.
What is the molecular weight of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate?
The molecular weight of Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate is 304.07 g/mol.
Where can I buy Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate?
You can request a quote for Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.