Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
TL;DR: Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate (CAS 97314-07-3) is a chemical compound with molecular formula C8H11Cl2F3N2O4S and molecular weight 357.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(2,2-dichloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
Also Known As: ACETIC ACID, DICHLOROTHIO-, S-2-(2-AMINOACETAMIDO)ETHYL ESTER, TRIFLUOROACETATE, Dichlorothioacetic acid S-2-(2-aminoacetamido)ethyl ester trifluoroacetate, [2-[2-(2,2-dichloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium; 2,2,2-trifluoroacetate, 2-({2-[(Dichloroacetyl)sulfanyl]ethyl}amino)-2-oxoethan-1-aminium trifluoroacetate, RefChem:316606
| Molecular Formula | C8H11Cl2F3N2O4S |
|---|---|
| Molecular Weight | 357.98 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.97687 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 97314-07-3 |
|---|---|
| SMILES | C(CSC(=O)C(Cl)Cl)NC(=O)C[NH3+].C(=O)(C(F)(F)F)[O-] |
| InChIKey | IBMQJOFNRUSBDX-UHFFFAOYSA-N |
Product Overview
Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate (CAS 97314-07-3), with molecular formula C8H11Cl2F3N2O4S and molecular weight 357.98 g/mol. IUPAC: [2-[2-(2,2-dichloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium;2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
Property Insights of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
The XLogP value of -1.29 indicates that Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)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, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate. Following Lipinski's Rule of Five, Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)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, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
The CAS number of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is 97314-07-3.
What is the molecular formula of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
The molecular formula of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is C8H11Cl2F3N2O4S.
What is the molecular weight of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
The molecular weight of Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate is 357.98 g/mol.
Where can I buy Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
You can request a quote for Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)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, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.