ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
TL;DR: ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate (CAS 406216-41-9) 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 (3S)-3-amino-3-(3-fluorophenyl)propanoate
Also Known As: ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate, Ethyl 3-amino-3-(3-fluorophenyl)propanoate, J2.640.862H, Ethyl (S)-3-amino-3-(3-fluorophenyl)propanoate, (S)-beta-Amino-3-fluorobenzenepropanoic acid ethyl ester
| Molecular Formula | C11H14FNO2 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 1.7787 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.10086 |
| Heavy Atoms | 15 |
| Complexity | 341.11475 |
Chemical Identifiers
| CAS Number | 406216-41-9 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C1=CC(=CC=C1)F)N |
Product Overview
ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate (CAS 406216-41-9), with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol. IUPAC: ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate.
Chemical Property Profile of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
Property Insights of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
The XLogP value of 1.7787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3S)-3-amino-3-(3-fluorophenyl)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 (3S)-3-amino-3-(3-fluorophenyl)propanoate?
The CAS number of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate is 406216-41-9.
What is the molecular formula of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate?
The molecular formula of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate is C11H14FNO2.
What is the molecular weight of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate?
The molecular weight of ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate is 211.10 g/mol.
Where can I buy ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate?
You can request a quote for ethyl (3S)-3-amino-3-(3-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 (3S)-3-amino-3-(3-fluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3S)-3-amino-3-(3-fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.