![(E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one structure](/static/products/4780/478039-92-8.webp)
(E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one
TL;DR: (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one (CAS 478039-92-8) is a chemical compound with molecular formula C22H16Cl2FNO2 and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloroanilino)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one
Also Known As: (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one, 1-[3-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-3-[(4-chlorophenyl)amino]prop-2-en-1-one, 3-(4-chloroanilino)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one
| Molecular Formula | C22H16Cl2FNO2 |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 6.52 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.0542 |
| Heavy Atoms | 28 |
| Complexity | 983.4235 |
Chemical Identifiers
| CAS Number | 478039-92-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C(=O)C=CNC3=CC=C(C=C3)Cl |
Product Overview
(E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one (CAS 478039-92-8), with molecular formula C22H16Cl2FNO2 and molecular weight 415.05 g/mol. IUPAC: 3-(4-chloroanilino)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one.
Chemical Property Profile of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one
Property Insights of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one
The XLogP value of 6.52 indicates that (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-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 38.33 Ų, (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one?
The CAS number of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one is 478039-92-8.
What is the molecular formula of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one?
The molecular formula of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one is C22H16Cl2FNO2.
What is the molecular weight of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one?
The molecular weight of (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one is 415.05 g/mol.
Where can I buy (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one?
You can request a quote for (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-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)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-chloroanilino)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.