![1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole structure](/static/products/5771/57710-82-4.webp)
1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole (CAS 57710-82-4) is a chemical compound with molecular formula C14H8F3N3O and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-[4-(trifluoromethyl)phenyl]methanone
Also Known As: 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole, N-(4-Trifluoromethyl)benzoylbenzotriazole, 1-[p-(Trifluoromethyl)benzoyl]-1H-benzotriazole, J2.598.664D, AM-814/41091973
| Molecular Formula | C14H8F3N3O |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 3.1386 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.06195 |
| Heavy Atoms | 21 |
| Complexity | 806.1923 |
Chemical Identifiers
| CAS Number | 57710-82-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole (CAS 57710-82-4), with molecular formula C14H8F3N3O and molecular weight 291.06 g/mol. IUPAC: benzotriazol-1-yl-[4-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole
The XLogP value of 3.1386 indicates that 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 3 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-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole is 57710-82-4.
What is the molecular formula of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole is C14H8F3N3O.
What is the molecular weight of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole is 291.06 g/mol.
Where can I buy 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.