Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate
TL;DR: Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate (CAS 401-12-7) is a chemical compound with molecular formula C13H14FNO3 and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate
Also Known As: ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate, Ethyl 2-(acetylamino)-3-(4-fluorophenyl)-2-propenoate
| Molecular Formula | C13H14FNO3 |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 1.8658 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09576 |
| Heavy Atoms | 18 |
| Complexity | 465.62964 |
Chemical Identifiers
| CAS Number | 401-12-7 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)F)NC(=O)C |
Product Overview
Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate (CAS 401-12-7), with molecular formula C13H14FNO3 and molecular weight 251.10 g/mol. IUPAC: ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate
Property Insights of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate
The XLogP value of 1.8658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate 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 2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
The CAS number of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate is 401-12-7.
What is the molecular formula of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
The molecular formula of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate is C13H14FNO3.
What is the molecular weight of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
The molecular weight of Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate is 251.10 g/mol.
Where can I buy Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
You can request a quote for Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-3-(4-fluorophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.