![ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate structure](/static/products/4452/445253-04-3.webp)
ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate
TL;DR: ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate (CAS 445253-04-3) is a chemical compound with molecular formula C18H15ClFNO3 and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate
Also Known As: ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate, ethyl 2-{[3-(2-chloro-6-fluorophenyl)acryloyl]amino}benzoate, ethyl 2-[(2E)-3-(6-chloro-2-fluorophenyl)prop-2-enoylamino]benzoate, ethyl 2-{[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C18H15ClFNO3 |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 4.3077 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.07245 |
| Heavy Atoms | 24 |
| Complexity | 769.3334 |
Chemical Identifiers
| CAS Number | 445253-04-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=C(C=CC=C2Cl)F |
Product Overview
ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate (CAS 445253-04-3), with molecular formula C18H15ClFNO3 and molecular weight 347.07 g/mol. IUPAC: ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate
Property Insights of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate
The XLogP value of 4.3077 indicates that ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]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 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]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 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate?
The CAS number of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate is 445253-04-3.
What is the molecular formula of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate?
The molecular formula of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate is C18H15ClFNO3.
What is the molecular weight of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate?
The molecular weight of ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate is 347.07 g/mol.
Where can I buy ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate?
You can request a quote for ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.