![(E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one structure](/static/products/4778/477888-61-2.webp)
(E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one
TL;DR: (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one (CAS 477888-61-2) is a chemical compound with molecular formula C24H21ClFNO2 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3,4-dimethylanilino)prop-2-en-1-one
Also Known As: (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one, 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3,4-dimethylanilino)prop-2-en-1-one
| Molecular Formula | C24H21ClFNO2 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 6.48344 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.12448 |
| Heavy Atoms | 29 |
| Complexity | 1024.9963 |
Chemical Identifiers
| CAS Number | 477888-61-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC=CC(=O)C2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)F)C |
Product Overview
(E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one (CAS 477888-61-2), with molecular formula C24H21ClFNO2 and molecular weight 409.12 g/mol. IUPAC: 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3,4-dimethylanilino)prop-2-en-1-one.
Chemical Property Profile of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one
Property Insights of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one
The XLogP value of 6.48344 indicates that (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-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)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-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)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one?
The CAS number of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one is 477888-61-2.
What is the molecular formula of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one?
The molecular formula of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one is C24H21ClFNO2.
What is the molecular weight of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one?
The molecular weight of (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one is 409.12 g/mol.
Where can I buy (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one?
You can request a quote for (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-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-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3,4-dimethylanilino)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.