![Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate structure](/static/products/866/866867-74-5.png)
Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate
TL;DR: Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate (CAS 866867-74-5) is a chemical compound with molecular formula C11H12F3NO2 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate
Also Known As: Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate, J2.816.338J, Methyl 3-amino-3-(4-(trifluoromethyl)phenyl)propanoate, Methyl3-amino-3-[4-(trifluoromethyl)phenyl]propanoate, Methyl (R)-3-amino-3-(4-(trifluoromethyl)phenyl)propanoate
| Molecular Formula | C11H12F3NO2 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.2683 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08202 |
| Heavy Atoms | 17 |
| Complexity | 386.69818 |
Chemical Identifiers
| CAS Number | 866867-74-5 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=C(C=C1)C(F)(F)F)N |
Product Overview
Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate (CAS 866867-74-5), with molecular formula C11H12F3NO2 and molecular weight 247.08 g/mol. IUPAC: methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate.
Chemical Property Profile of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate
Property Insights of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate
The XLogP value of 2.2683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate 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 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
The CAS number of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate is 866867-74-5.
What is the molecular formula of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
The molecular formula of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate is C11H12F3NO2.
What is the molecular weight of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
The molecular weight of Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate is 247.08 g/mol.
Where can I buy Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
You can request a quote for Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]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-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-3-[4-(trifluoromethyl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.