![1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one structure](/static/products/3442/344276-97-7.webp)
1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
TL;DR: 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one (CAS 344276-97-7) is a chemical compound with molecular formula C20H15ClF6N4O3 and molecular weight 508.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Also Known As: 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one, 1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
| Molecular Formula | C20H15ClF6N4O3 |
|---|---|
| Molecular Weight | 508.07 g/mol |
| LogP | 5.4041 |
| Topological Polar Surface Area | 84.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.0737 |
| Heavy Atoms | 34 |
| Complexity | 1087.1969 |
Chemical Identifiers
| CAS Number | 344276-97-7 |
|---|---|
| SMILES | C1C(ON=C1C(=O)C=CNC2=CC=C(C=C2)OC(F)(F)F)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one (CAS 344276-97-7), with molecular formula C20H15ClF6N4O3 and molecular weight 508.07 g/mol. IUPAC: 1-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one.
Chemical Property Profile of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
Property Insights of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
The XLogP value of 5.4041 indicates that 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one. Following Lipinski's Rule of Five, 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
The CAS number of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is 344276-97-7.
What is the molecular formula of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
The molecular formula of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is C20H15ClF6N4O3.
What is the molecular weight of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
The molecular weight of 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is 508.07 g/mol.
Where can I buy 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
You can request a quote for 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-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 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.