1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one
TL;DR: 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one (CAS 477888-51-0) is a chemical compound with molecular formula C24H21BrFNO2 and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one
Also Known As: 1-(4-bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one, (E)-1-(4-bromo-3-methylanilino)-4-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]-1-penten-3-one, 1-[(4-bromo-3-methyl-phenyl)amino]-4-(3-fluoro-4-phenyl-phenoxy)pent-1-en-3-one
| Molecular Formula | C24H21BrFNO2 |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 6.52582 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.07397 |
| Heavy Atoms | 29 |
| Complexity | 1034.3055 |
Chemical Identifiers
| CAS Number | 477888-51-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC=CC(=O)C(C)OC2=CC(=C(C=C2)C3=CC=CC=C3)F)Br |
Product Overview
1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one (CAS 477888-51-0), with molecular formula C24H21BrFNO2 and molecular weight 453.07 g/mol. IUPAC: 1-(4-bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one.
Chemical Property Profile of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one
Property Insights of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one
The XLogP value of 6.52582 indicates that 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-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, 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-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 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one?
The CAS number of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one is 477888-51-0.
What is the molecular formula of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one?
The molecular formula of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one is C24H21BrFNO2.
What is the molecular weight of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one?
The molecular weight of 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one is 453.07 g/mol.
Where can I buy 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one?
You can request a quote for 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3-methylanilino)-4-(3-fluoro-4-phenylphenoxy)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.