![(E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione structure](/static/products/4782/478248-66-7.webp)
(E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione
TL;DR: (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione (CAS 478248-66-7) is a chemical compound with molecular formula C23H19ClF4N4O3 and molecular weight 510.1082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]pent-4-ene-1,3-dione
Also Known As: (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione, 2-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]pent-4-ene-1,3-dione
Technical Specifications
| Molecular Formula | C23H19ClF4N4O3 |
| Molecular Weight | 510.1082 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.1082 Da |
| Heavy Atoms | 35 |
| Complexity | 762.0 |
| SMILES | CN(C)C=CC(=O)C(CC1=C(C=CC=C1Cl)F)C(=O)C2=CN(N=N2)C3=CC=C(C=C3)OC(F)(F)F |
| InChIKey | XXUYKWNKPIDRLX-UHFFFAOYSA-N |
Chemical Property Profile of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione
Property Insights of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione
The XLogP value of 5.5 indicates that (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione. Following Lipinski's Rule of Five, (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione?
The CAS number of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione is 478248-66-7.
What is the molecular formula of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione?
The molecular formula of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione is C23H19ClF4N4O3.
What is the molecular weight of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione?
The molecular weight of (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione is 510.1082 g/mol.
Where can I buy (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione?
You can request a quote for (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione?
Yes, CoreyChem provides custom synthesis services for (E)-2-(2-chloro-6-fluorobenzyl)-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}-4-pentene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.