![3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one structure](/static/products/861/861212-89-7.png)
3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one
TL;DR: 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one (CAS 861212-89-7) is a chemical compound with molecular formula C24H18F2N2O2 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one
Also Known As: 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one, (Z)-3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzisoxazol-5-yl]-2-buten-1-one, 3-[(4-fluoro-2-methyl-phenyl)amino]-1-[3-(4-fluorophenyl)benzo[c]isoxazol-5-yl]but-2-en-1-one
| Molecular Formula | C24H18F2N2O2 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 6.28002 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.13364 |
| Heavy Atoms | 30 |
| Complexity | 1274.3606 |
Chemical Identifiers
| CAS Number | 861212-89-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)NC(=CC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)F)C |
Product Overview
3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one (CAS 861212-89-7), with molecular formula C24H18F2N2O2 and molecular weight 404.13 g/mol. IUPAC: 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one.
Chemical Property Profile of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one
Property Insights of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one
The XLogP value of 6.28002 indicates that 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-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 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one?
The CAS number of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one is 861212-89-7.
What is the molecular formula of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one?
The molecular formula of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one is C24H18F2N2O2.
What is the molecular weight of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one?
The molecular weight of 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one is 404.13 g/mol.
Where can I buy 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one?
You can request a quote for 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluoro-2-methylanilino)-1-[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.