methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate
TL;DR: methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate (CAS 21735-58-0) is a chemical compound with molecular formula C11H10F3NO3 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate
Also Known As: methyl N-trifluoroacetylphenylglycinate, Methyl 2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate, methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate, Benzeneacetic acid, a-[(2,2,2-trifluoroacetyl)amino]-,methyl ester, (aS)-
| Molecular Formula | C11H10F3NO3 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 1.5792 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.06128 |
| Heavy Atoms | 18 |
| Complexity | 430.9096 |
Chemical Identifiers
| CAS Number | 21735-58-0 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)NC(=O)C(F)(F)F |
Product Overview
methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate (CAS 21735-58-0), with molecular formula C11H10F3NO3 and molecular weight 261.06 g/mol. IUPAC: methyl 2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate.
Chemical Property Profile of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate
Property Insights of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate
The XLogP value of 1.5792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate has 1 hydrogen bond donor(s) and 3 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 methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate?
The CAS number of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate is 21735-58-0.
What is the molecular formula of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate?
The molecular formula of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate is C11H10F3NO3.
What is the molecular weight of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate?
The molecular weight of methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate is 261.06 g/mol.
Where can I buy methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate?
You can request a quote for methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-phenyl-2-(2,2,2-trifluoroacetylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.