N-(三氟乙酰)甘氨酸乙烯酯
TL;DR: N-(三氟乙酰)甘氨酸乙烯酯 (CAS 687-04-7) is a chemical compound with molecular formula C6H6F3NO3 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(三氟乙酰)甘氨酸乙烯酯
ethenyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
Also Known As: N-Trifluoroacetylglycine vinyl ester, GLYCINE, N-(TRIFLUOROACETYL)-, VINYL ESTER, Ethenyl N-(trifluoroacetyl)glycinate, N-(Trifluoroacetyl)glycine vinyl ester, vinyl 2-(2,2,2-trifluoroacetamido)acetate
| Molecular Formula | C6H6F3NO3 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.02998 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 687-04-7 |
|---|---|
| SMILES | C=COC(=O)CNC(=O)C(F)(F)F |
| InChIKey | YWUZNDFFHYVXOH-UHFFFAOYSA-N |
Product Overview
N-(三氟乙酰)甘氨酸乙烯酯 (CAS 687-04-7), with molecular formula C6H6F3NO3 and molecular weight 197.03 g/mol. IUPAC: ethenyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
Chemical Property Profile of N-(三氟乙酰)甘氨酸乙烯酯
Property Insights of N-(三氟乙酰)甘氨酸乙烯酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(三氟乙酰)甘氨酸乙烯酯. With a topological polar surface area (TPSA) of 55.4 Ų, N-(三氟乙酰)甘氨酸乙烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(三氟乙酰)甘氨酸乙烯酯 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 N-(三氟乙酰)甘氨酸乙烯酯?
The CAS number of N-(三氟乙酰)甘氨酸乙烯酯 is 687-04-7.
What is the molecular formula of N-(三氟乙酰)甘氨酸乙烯酯?
The molecular formula of N-(三氟乙酰)甘氨酸乙烯酯 is C6H6F3NO3.
What is the molecular weight of N-(三氟乙酰)甘氨酸乙烯酯?
The molecular weight of N-(三氟乙酰)甘氨酸乙烯酯 is 197.03 g/mol.
Where can I buy N-(三氟乙酰)甘氨酸乙烯酯?
You can request a quote for N-(三氟乙酰)甘氨酸乙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(三氟乙酰)甘氨酸乙烯酯?
Yes, KEHONG BIO provides custom synthesis services for N-(三氟乙酰)甘氨酸乙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.