Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate
TL;DR: Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate (CAS 1306136-71-9) is a chemical compound with molecular formula C11H13F2NO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-(2,4-difluorophenyl)propanoate
Also Known As: ethyl 3-amino-3-(2,4-difluorophenyl)propanoate, ethyl3-amino-3-(2,4-difluorophenyl)propanoate, 3-Amino-3-(2,4-difluoro-phenyl)-propionic acid ethyl ester, Ethyl (s)-3-amino-3-(2,4-difluorophenyl)propanoate, 992-864-9
| Molecular Formula | C11H13F2NO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.9178 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.09143 |
| Heavy Atoms | 16 |
| Complexity | 382.24734 |
Chemical Identifiers
| CAS Number | 1306136-71-9 |
|---|---|
| SMILES | CCOC(=O)CC(C1=C(C=C(C=C1)F)F)N |
Product Overview
Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate (CAS 1306136-71-9), with molecular formula C11H13F2NO2 and molecular weight 229.09 g/mol. IUPAC: ethyl 3-amino-3-(2,4-difluorophenyl)propanoate.
Chemical Property Profile of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate
Property Insights of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate
The XLogP value of 1.9178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-3-(2,4-difluorophenyl)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 Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate?
The CAS number of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate is 1306136-71-9.
What is the molecular formula of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate?
The molecular formula of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate is C11H13F2NO2.
What is the molecular weight of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate?
The molecular weight of Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate is 229.09 g/mol.
Where can I buy Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate?
You can request a quote for Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-(2,4-difluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.