Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate (CAS 119403-58-6) is a chemical compound with molecular formula C11H9F9N2O2 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole-4-carboxylate
Also Known As: Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate, ethyl 5-methyl-3-(nonafluorobutyl)-1H-pyrazole-4-carboxylate, ethyl 5-methyl-3-(perfluorobutyl)-1H-pyrazole-4-carboxylate, ethyl 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole-4-carboxylate, 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole-4-carboxylic acid ethyl ester
| Molecular Formula | C11H9F9N2O2 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.05203 |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 119403-58-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C |
| InChIKey | UXYZBNZRCWCUCV-UHFFFAOYSA-N |
Product Overview
Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate (CAS 119403-58-6), with molecular formula C11H9F9N2O2 and molecular weight 372.05 g/mol. IUPAC: ethyl 5-methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate
The XLogP value of 3.8 indicates that Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate is 119403-58-6.
What is the molecular formula of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate is C11H9F9N2O2.
What is the molecular weight of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate is 372.05 g/mol.
Where can I buy Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(nonafluorobutyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.