![(E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one structure](/static/products/4780/478039-76-8.webp)
(E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one
TL;DR: (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one (CAS 478039-76-8) is a chemical compound with molecular formula C28H21ClFNO3 and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one
Also Known As: (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one, 1-[3-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-3-[(4-phenoxyphenyl)amino]prop-2-en-1-one, 1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one
| Molecular Formula | C28H21ClFNO3 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 7.6589 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.1194 |
| Heavy Atoms | 34 |
| Complexity | 1270.558 |
Chemical Identifiers
| CAS Number | 478039-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=CC(=O)C3=CC(=CC=C3)OCC4=C(C=CC=C4Cl)F |
Product Overview
(E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one (CAS 478039-76-8), with molecular formula C28H21ClFNO3 and molecular weight 473.12 g/mol. IUPAC: 1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one
Property Insights of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one
The XLogP value of 7.6589 indicates that (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one?
The CAS number of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one is 478039-76-8.
What is the molecular formula of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one?
The molecular formula of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one is C28H21ClFNO3.
What is the molecular weight of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one?
The molecular weight of (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one is 473.12 g/mol.
Where can I buy (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one?
You can request a quote for (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-phenoxyanilino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.