Methyl 3-phenyl-2-(trifluoroacetamido)propanoate
TL;DR: Methyl 3-phenyl-2-(trifluoroacetamido)propanoate (CAS 23772-98-7) is a chemical compound with molecular formula C12H12F3NO3 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: Tfa-Phe-Ome, Methyl 3-phenyl-2-(trifluoroacetamido)propanoate, methyl n-(trifluoroacetyl)phenylalaninate, J1.772.804K, N-Trifluoroacetyl-L-phenylalanine methyl ester
| Molecular Formula | C12H12F3NO3 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.07693 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 23772-98-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(F)(F)F |
| InChIKey | ZYMGRJXIRUWDLX-UHFFFAOYSA-N |
Product Overview
Methyl 3-phenyl-2-(trifluoroacetamido)propanoate (CAS 23772-98-7), with molecular formula C12H12F3NO3 and molecular weight 275.08 g/mol. IUPAC: methyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate
Property Insights of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-phenyl-2-(trifluoroacetamido)propanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-phenyl-2-(trifluoroacetamido)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenyl-2-(trifluoroacetamido)propanoate 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 Methyl 3-phenyl-2-(trifluoroacetamido)propanoate?
The CAS number of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate is 23772-98-7.
What is the molecular formula of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate?
The molecular formula of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate is C12H12F3NO3.
What is the molecular weight of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate?
The molecular weight of Methyl 3-phenyl-2-(trifluoroacetamido)propanoate is 275.08 g/mol.
Where can I buy Methyl 3-phenyl-2-(trifluoroacetamido)propanoate?
You can request a quote for Methyl 3-phenyl-2-(trifluoroacetamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenyl-2-(trifluoroacetamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenyl-2-(trifluoroacetamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.