2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester
TL;DR: 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester (CAS 239135-54-7) is a chemical compound with molecular formula C11H12F3NO3 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoate
Also Known As: Methyl alpha-(trifluoromethyl)tyrosinate, I+/--(Trifluoromethyl)tyrosine methyl ester, 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester, Methyl 2-amino-3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoate, METHYL 2-AMINO-3,3,3-TRIFLUORO-2-(4-HYDROXYBENZYL)PROPANOATE
| Molecular Formula | C11H12F3NO3 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.3675 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07693 |
| Heavy Atoms | 18 |
| Complexity | 430.15472 |
Chemical Identifiers
| CAS Number | 239135-54-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)O)(C(F)(F)F)N |
Product Overview
2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester (CAS 239135-54-7), with molecular formula C11H12F3NO3 and molecular weight 263.08 g/mol. IUPAC: methyl 2-amino-3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoate.
Chemical Property Profile of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester
Property Insights of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester
The XLogP value of 1.3675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester. Following Lipinski's Rule of Five, 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester 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 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester?
The CAS number of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester is 239135-54-7.
What is the molecular formula of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester?
The molecular formula of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester is C11H12F3NO3.
What is the molecular weight of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester?
The molecular weight of 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester is 263.08 g/mol.
Where can I buy 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester?
You can request a quote for 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3,3,3-trifluoro-2-(4-hydroxy-benzyl)-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.