Ethyl 3-amino-3-(4-fluorophenyl)propanoate
TL;DR: Ethyl 3-amino-3-(4-fluorophenyl)propanoate (CAS 218166-05-3) is a chemical compound with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-(4-fluorophenyl)propanoate
Also Known As: Ethyl 3-amino-3-(4-fluorophenyl)propanoate, ethyl 3-amino-3-(4-fluorophenyl)propionate, J1.810.039H, Ethyl 3-amino-3-(4-fluorophenyl)propanoate #, 3-amino-3-(4-fluorophenyl)propionic acid ethyl ester
| Molecular Formula | C11H14FNO2 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.10086 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 218166-05-3 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)F)N |
| InChIKey | SIHVBHFOAHJMHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-amino-3-(4-fluorophenyl)propanoate (CAS 218166-05-3), with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol. IUPAC: ethyl 3-amino-3-(4-fluorophenyl)propanoate.
Chemical Property Profile of Ethyl 3-amino-3-(4-fluorophenyl)propanoate
Property Insights of Ethyl 3-amino-3-(4-fluorophenyl)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-(4-fluorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-amino-3-(4-fluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-3-(4-fluorophenyl)propanoate has 1 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 Ethyl 3-amino-3-(4-fluorophenyl)propanoate?
The CAS number of Ethyl 3-amino-3-(4-fluorophenyl)propanoate is 218166-05-3.
What is the molecular formula of Ethyl 3-amino-3-(4-fluorophenyl)propanoate?
The molecular formula of Ethyl 3-amino-3-(4-fluorophenyl)propanoate is C11H14FNO2.
What is the molecular weight of Ethyl 3-amino-3-(4-fluorophenyl)propanoate?
The molecular weight of Ethyl 3-amino-3-(4-fluorophenyl)propanoate is 211.10 g/mol.
Where can I buy Ethyl 3-amino-3-(4-fluorophenyl)propanoate?
You can request a quote for Ethyl 3-amino-3-(4-fluorophenyl)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-(4-fluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-(4-fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.