![1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate structure](/static/products/1396/1396965-98-2.webp)
1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate
TL;DR: 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate (CAS 1396965-98-2) is a chemical compound with molecular formula C15H18F3NO5S and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-ethoxy-1-oxo-3-(2-phenylacetyl)sulfanylpropan-2-yl]azanium;2,2,2-trifluoroacetate
Also Known As: 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate, 11P-098, [1-ethoxy-1-oxo-3-(2-phenylacetyl)sulfanylpropan-2-yl]azanium;2,2,2-trifluoroacetate, ethyl 2-amino-3-[(2-phenylacetyl)sulfanyl]propanoate; trifluoroacetic acid, [1-ethoxy-1-oxo-3-(2-phenylacetyl)sulfanylpropan-2-yl]azanium; 2,2,2-trifluoroacetate
| Molecular Formula | C15H18F3NO5S |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | -0.0389 |
| Topological Polar Surface Area | 111.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.0858 |
| Heavy Atoms | 25 |
| Complexity | 566.0353 |
Chemical Identifiers
| CAS Number | 1396965-98-2 |
|---|---|
| SMILES | CCOC(=O)C(CSC(=O)CC1=CC=CC=C1)[NH3+].C(=O)(C(F)(F)F)[O-] |
Product Overview
1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate (CAS 1396965-98-2), with molecular formula C15H18F3NO5S and molecular weight 381.09 g/mol. IUPAC: [1-ethoxy-1-oxo-3-(2-phenylacetyl)sulfanylpropan-2-yl]azanium;2,2,2-trifluoroacetate.
Chemical Property Profile of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate
Property Insights of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate
The XLogP value of -0.0389 indicates that 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate. Following Lipinski's Rule of Five, 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate 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 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate?
The CAS number of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate is 1396965-98-2.
What is the molecular formula of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate?
The molecular formula of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate is C15H18F3NO5S.
What is the molecular weight of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate?
The molecular weight of 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate is 381.09 g/mol.
Where can I buy 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate?
You can request a quote for 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-ethoxy-1-oxo-3-[(2-phenylacetyl)sulfanyl]-2-propanaminium 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.