![Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate structure](/static/products/3283/328391-87-3.webp)
Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate
TL;DR: Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate (CAS 328391-87-3) is a chemical compound with molecular formula C14H20F8N2O9 and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate);hydrate
Also Known As: ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate, bis(ethyl 3,3,3-trifluoro-2-(2-fluoroacetamido)-2-hydroxypropanoate) hydrate, Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxy-propanoate Hydrate, ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hydrate, ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate;hydrate
| Molecular Formula | C14H20F8N2O9 |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | -1.0525 |
| Topological Polar Surface Area | 182.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1041 |
| Heavy Atoms | 33 |
| Complexity | 618.0369 |
Chemical Identifiers
| CAS Number | 328391-87-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)CF)O.CCOC(=O)C(C(F)(F)F)(NC(=O)CF)O.O |
Product Overview
Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate (CAS 328391-87-3), with molecular formula C14H20F8N2O9 and molecular weight 512.10 g/mol. IUPAC: bis(ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate);hydrate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate
Property Insights of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate
The XLogP value of -1.0525 indicates that Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.76 Ų indicates high polarity, suggesting Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate?
The CAS number of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate is 328391-87-3.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate is C14H20F8N2O9.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate is 512.10 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-[(2-fluoroacetyl)amino]-2-hydroxypropanoate hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.