1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole
TL;DR: 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole (CAS 247185-63-3) is a chemical compound with molecular formula C14H8F7N3O3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-5-phenylpyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole, 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-5-phenylpyrazol-1-yl]ethanone, 1-[3-(heptafluoropropyl)-4-nitro-5-phenylpyrazol-1-yl]ethanone
| Molecular Formula | C14H8F7N3O3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 4.4078 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.04538 |
| Heavy Atoms | 27 |
| Complexity | 891.35126 |
Chemical Identifiers
| CAS Number | 247185-63-3 |
|---|---|
| SMILES | CC(=O)N1C(=C(C(=N1)C(C(C(F)(F)F)(F)F)(F)F)[N+](=O)[O-])C2=CC=CC=C2 |
Product Overview
1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole (CAS 247185-63-3), with molecular formula C14H8F7N3O3 and molecular weight 399.05 g/mol. IUPAC: 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-5-phenylpyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole
Property Insights of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole
The XLogP value of 4.4078 indicates that 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole. Following Lipinski's Rule of Five, 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole 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-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole?
The CAS number of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole is 247185-63-3.
What is the molecular formula of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole?
The molecular formula of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole is C14H8F7N3O3.
What is the molecular weight of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole?
The molecular weight of 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole is 399.05 g/mol.
Where can I buy 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole?
You can request a quote for 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3(5)-(heptafluoropropyl)-4-nitro-5(3)-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.