1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole
TL;DR: 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole (CAS 231947-18-5) is a chemical compound with molecular formula C14H8ClF7N2O and molecular weight 388.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenylpyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole, 1-Acetyl-4-chloro-3(5)-heptafluoropropyl-5(3)-phenylpyrazole, 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenylpyrazol-1-yl]ethanone, 1-Acetyl-4-chloro-3-heptafluoropropyl-5-phenylpyrazole, 1-[4-chloro-3-(heptafluoropropyl)-5-phenylpyrazol-1-yl]ethanone
| Molecular Formula | C14H8ClF7N2O |
|---|---|
| Molecular Weight | 388.02 g/mol |
| LogP | 5.153 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.02133 |
| Heavy Atoms | 25 |
| Complexity | 799.5019 |
Chemical Identifiers
| CAS Number | 231947-18-5 |
|---|---|
| SMILES | CC(=O)N1C(=C(C(=N1)C(C(C(F)(F)F)(F)F)(F)F)Cl)C2=CC=CC=C2 |
Product Overview
1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole (CAS 231947-18-5), with molecular formula C14H8ClF7N2O and molecular weight 388.02 g/mol. IUPAC: 1-[4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenylpyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole
Property Insights of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole
The XLogP value of 5.153 indicates that 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole?
The CAS number of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole is 231947-18-5.
What is the molecular formula of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole?
The molecular formula of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole is C14H8ClF7N2O.
What is the molecular weight of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole?
The molecular weight of 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole is 388.02 g/mol.
Where can I buy 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole?
You can request a quote for 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-chloro-3-(heptafluoropropyl)-5-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.