![(E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one structure](/static/products/3384/338416-09-4.webp)
(E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one
TL;DR: (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one (CAS 338416-09-4) is a chemical compound with molecular formula C20H20ClF3N2O2 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-1-(dimethylamino)pent-1-en-3-one
Also Known As: (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one, 4-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(dimethylamino)pent-1-en-3-one, 4-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-dimethylamino-pent-1-en-3-one
| Molecular Formula | C20H20ClF3N2O2 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 4.7563 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.11655 |
| Heavy Atoms | 28 |
| Complexity | 849.5196 |
Chemical Identifiers
| CAS Number | 338416-09-4 |
|---|---|
| SMILES | CC(C(=O)C=CN(C)C)OC1=CC=C(C=C1)CC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
(E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one (CAS 338416-09-4), with molecular formula C20H20ClF3N2O2 and molecular weight 412.12 g/mol. IUPAC: 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-1-(dimethylamino)pent-1-en-3-one.
Chemical Property Profile of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one
Property Insights of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one
The XLogP value of 4.7563 indicates that (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one?
The CAS number of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one is 338416-09-4.
What is the molecular formula of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one?
The molecular formula of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one is C20H20ClF3N2O2.
What is the molecular weight of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one?
The molecular weight of (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one is 412.12 g/mol.
Where can I buy (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one?
You can request a quote for (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)-1-(dimethylamino)-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.