![1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole structure](/static/products/808/808764-30-9.png)
1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole
TL;DR: 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole (CAS 808764-30-9) is a chemical compound with molecular formula C11H6F11N3O4 and molecular weight 453.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole, 1-Acetyl-5(3)-methyl-4-nitro-3(5)-perfluoro(1-propoxyethyl)pyrazole, 1-[5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrazol-1-yl]ethanone, 1-ACetyl-5(3)-methyl-4-nitro-3(5)-[perfluoro(1-propoxyethyl)]pyrazole, 1-Acetyl-5-methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole
| Molecular Formula | C11H6F11N3O4 |
|---|---|
| Molecular Weight | 453.02 g/mol |
| LogP | 4.25142 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.01828 |
| Heavy Atoms | 29 |
| Complexity | 829.2493 |
Chemical Identifiers
| CAS Number | 808764-30-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)[N+](=O)[O-] |
Product Overview
1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole (CAS 808764-30-9), with molecular formula C11H6F11N3O4 and molecular weight 453.02 g/mol. IUPAC: 1-[5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole
Property Insights of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole
The XLogP value of 4.25142 indicates that 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole has 0 hydrogen bond donor(s) and 5 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-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole?
The CAS number of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole is 808764-30-9.
What is the molecular formula of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole?
The molecular formula of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole is C11H6F11N3O4.
What is the molecular weight of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole?
The molecular weight of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole is 453.02 g/mol.
Where can I buy 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole?
You can request a quote for 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-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-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-4-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.