![4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride structure](/static/products/2204/220461-85-8.webp)
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride
TL;DR: 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride (CAS 220461-85-8) is a chemical compound with molecular formula C11H6ClF3N2O and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl chloride
Also Known As: 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride, 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl chloride, Benzoyl chloride,4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-, 4-(3-trifluoromethylpyrazol-1-yl)benzoyl chloride, 4-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)benzoyl chloride
| Molecular Formula | C11H6ClF3N2O |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 3.2701 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0121 |
| Heavy Atoms | 18 |
| Complexity | 574.7194 |
Chemical Identifiers
| CAS Number | 220461-85-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)Cl)N2C=CC(=N2)C(F)(F)F |
Product Overview
4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride (CAS 220461-85-8), with molecular formula C11H6ClF3N2O and molecular weight 274.01 g/mol. IUPAC: 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl chloride.
Chemical Property Profile of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride
Property Insights of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride
The XLogP value of 3.2701 indicates that 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride has 0 hydrogen bond donor(s) and 2 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 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride?
The CAS number of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride is 220461-85-8.
What is the molecular formula of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride?
The molecular formula of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride is C11H6ClF3N2O.
What is the molecular weight of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride?
The molecular weight of 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride is 274.01 g/mol.
Where can I buy 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride?
You can request a quote for 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.