![1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole structure](/static/products/808/808764-33-2.png)
1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole
TL;DR: 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole (CAS 808764-33-2) is a chemical compound with molecular formula C11H7F11N2O2 and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-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-1H-pyrazole, 1-[5-methyl-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-3(5)-perfluoro(1-propoxyethyl)pyrazole, 1-ACetyl-5(3)-methyl-3(5)-[perfluoro(1-propoxyethyl)]pyrazole, 1-Acetyl-5-methyl-3-[perfluoro(1-propoxyethyl)]pyrazole
| Molecular Formula | C11H7F11N2O2 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 4.34322 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.03317 |
| Heavy Atoms | 26 |
| Complexity | 691.29486 |
Chemical Identifiers
| CAS Number | 808764-33-2 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F |
Product Overview
1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole (CAS 808764-33-2), with molecular formula C11H7F11N2O2 and molecular weight 408.03 g/mol. IUPAC: 1-[5-methyl-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-1H-pyrazole
Property Insights of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole
The XLogP value of 4.34322 indicates that 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole 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-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole?
The CAS number of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole is 808764-33-2.
What is the molecular formula of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole?
The molecular formula of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole is C11H7F11N2O2.
What is the molecular weight of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole?
The molecular weight of 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole is 408.03 g/mol.
Where can I buy 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole?
You can request a quote for 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-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-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-[1-(heptafluoropropoxy)-1,2,2,2-tetrafluoroethyl]-5-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.