RefChem:296947
TL;DR: RefChem:296947 (CAS 141079-15-4) is a chemical compound with molecular formula C21H13Cl3FN3O and molecular weight 447.01083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-(phenoxymethyl)-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-(phenoxymethyl)-, 4-(3-Chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole, 4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-(phenox, 4-(3-chloro-4-fluorophenyl)-3-(2,4-dichlorophenyl)-5-(phenoxymethyl)-1,2,4-triazole, BRN 5460954
Technical Specifications
| Molecular Formula | C21H13Cl3FN3O |
| Molecular Weight | 447.01083 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.01083 Da |
| Heavy Atoms | 29 |
| Complexity | 527.0 |
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | GCVKTJJXEQMGRJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:296947
Property Insights of RefChem:296947
The XLogP value of 6.2 indicates that RefChem:296947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, RefChem:296947 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:296947 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:296947?
The CAS number of RefChem:296947 is 141079-15-4.
What is the molecular formula of RefChem:296947?
The molecular formula of RefChem:296947 is C21H13Cl3FN3O.
What is the molecular weight of RefChem:296947?
The molecular weight of RefChem:296947 is 447.01083 g/mol.
Where can I buy RefChem:296947?
You can request a quote for RefChem:296947 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:296947?
Yes, CoreyChem provides custom synthesis services for RefChem:296947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.