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5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole
TL;DR: 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole (CAS 247170-16-7) is a chemical compound with molecular formula C9H4F11N3O3 and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1H-pyrazole
Also Known As: 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole, 3-[Tetrafluoro-1-(heptafluoropropoxy)ethyl]-5-methyl-4-(nitro)pyrazole, 5(3)-Methyl-4-nitro-3(5)-[perfluoro(1-propoxyethyl)]pyrazole, 5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1H-pyrazole, 3-[TETRAFLUORO-1-(HEPTAFLUORO-1-PROPOXY)ETHYL]-5-METHYL-4-(NITRO)PYRAZOLE
| Molecular Formula | C9H4F11N3O3 |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 4.11792 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0077 |
| Heavy Atoms | 26 |
| Complexity | 695.3095 |
Chemical Identifiers
| CAS Number | 247170-16-7 |
|---|---|
| SMILES | CC1=C(C(=NN1)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)[N+](=O)[O-] |
Product Overview
5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole (CAS 247170-16-7), with molecular formula C9H4F11N3O3 and molecular weight 411.01 g/mol. IUPAC: 5-methyl-4-nitro-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1H-pyrazole.
Chemical Property Profile of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole
Property Insights of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole
The XLogP value of 4.11792 indicates that 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole. Following Lipinski's Rule of Five, 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole has 1 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 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole?
The CAS number of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole is 247170-16-7.
What is the molecular formula of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole?
The molecular formula of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole is C9H4F11N3O3.
What is the molecular weight of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole?
The molecular weight of 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole is 411.01 g/mol.
Where can I buy 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole?
You can request a quote for 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-nitro-3-[perfluoro(1-propoxyethyl)]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.