![ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate structure](/static/products/464/464909-23-7.png)
ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate
TL;DR: ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate (CAS 464909-23-7) is a chemical compound with molecular formula C18H16FNO3 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoate
Also Known As: ethyl 4-{[3-(4-fluorophenyl)acryloyl]amino}benzoate, ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate, ethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoate, ethyl 4-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C18H16FNO3 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 3.6543 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.11142 |
| Heavy Atoms | 23 |
| Complexity | 706.0515 |
Chemical Identifiers
| CAS Number | 464909-23-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)F |
Product Overview
ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate (CAS 464909-23-7), with molecular formula C18H16FNO3 and molecular weight 313.11 g/mol. IUPAC: ethyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate
Property Insights of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate
The XLogP value of 3.6543 indicates that ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate 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 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate?
The CAS number of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate is 464909-23-7.
What is the molecular formula of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate?
The molecular formula of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate is C18H16FNO3.
What is the molecular weight of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate?
The molecular weight of ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate is 313.11 g/mol.
Where can I buy ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate?
You can request a quote for ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(2E)-3-(4-fluorophenyl)prop-2-enoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.