(S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
TL;DR: (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate (CAS 1604-54-2) is a chemical compound with molecular formula C12H12F3NO4 and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: hexylthiocyanate, N-Trifluoroacetyl-L-tyrosine methyl ester, (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate, Methyl 3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate, METHYL (2S)-3-(4-HYDROXYPHENYL)-2-(2,2,2-TRIFLUOROACETAMIDO)PROPANOATE
| Molecular Formula | C12H12F3NO4 |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.1548 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.07184 |
| Heavy Atoms | 20 |
| Complexity | 484.47095 |
Chemical Identifiers
| CAS Number | 1604-54-2 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(F)(F)F |
Product Overview
(S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate (CAS 1604-54-2), with molecular formula C12H12F3NO4 and molecular weight 291.07 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
Property Insights of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
The XLogP value of 1.1548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate. Following Lipinski's Rule of Five, (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate has 2 hydrogen bond donor(s) and 4 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 (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate?
The CAS number of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate is 1604-54-2.
What is the molecular formula of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate?
The molecular formula of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate is C12H12F3NO4.
What is the molecular weight of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate?
The molecular weight of (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate is 291.07 g/mol.
Where can I buy (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate?
You can request a quote for (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl 3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.