![3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide structure](/static/products/957/957014-52-7.png)
3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
TL;DR: 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide (CAS 957014-52-7) is a chemical compound with molecular formula C21H17ClF3N5S and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole
Also Known As: 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide, 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole, 3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole, 3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole, REGID_for_CID_2768230
| Molecular Formula | C21H17ClF3N5S |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 6.1152 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.08453 |
| Heavy Atoms | 31 |
| Complexity | 1187.4509 |
Chemical Identifiers
| CAS Number | 957014-52-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F |
Product Overview
3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide (CAS 957014-52-7), with molecular formula C21H17ClF3N5S and molecular weight 463.08 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole.
Chemical Property Profile of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
Property Insights of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide
The XLogP value of 6.1152 indicates that 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.53 Ų, 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide has 0 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-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
The CAS number of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is 957014-52-7.
What is the molecular formula of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
The molecular formula of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is C21H17ClF3N5S.
What is the molecular weight of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
The molecular weight of 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide is 463.08 g/mol.
Where can I buy 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
You can request a quote for 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-chlorobenzyl 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.