![1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone structure](/static/products/4780/478041-19-9.webp)
1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone
TL;DR: 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone (CAS 478041-19-9) is a chemical compound with molecular formula C16H10ClF3N4O and molecular weight 366.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]phenyl]ethanone
Also Known As: 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone, 1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazol-1-yl}phenyl)ethan-1-one, 3R-0849, 1-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]triazol-1-yl]phenyl]ethanone, 1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,3-triazol-1-yl}phenyl)ethanone
| Molecular Formula | C16H10ClF3N4O |
|---|---|
| Molecular Weight | 366.05 g/mol |
| LogP | 4.2041 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.04953 |
| Heavy Atoms | 25 |
| Complexity | 935.29803 |
Chemical Identifiers
| CAS Number | 478041-19-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C=C(N=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone (CAS 478041-19-9), with molecular formula C16H10ClF3N4O and molecular weight 366.05 g/mol. IUPAC: 1-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]phenyl]ethanone.
Chemical Property Profile of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone
Property Insights of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone
The XLogP value of 4.2041 indicates that 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone. Following Lipinski's Rule of Five, 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone 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 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone?
The CAS number of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone is 478041-19-9.
What is the molecular formula of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone?
The molecular formula of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone is C16H10ClF3N4O.
What is the molecular weight of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone?
The molecular weight of 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone is 366.05 g/mol.
Where can I buy 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone?
You can request a quote for 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}phenyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.