1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole
TL;DR: 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole (CAS 231630-89-0) is a chemical compound with molecular formula C18H6F18N2O and molecular weight 608.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrazol-1-yl]-phenylmethanone
Also Known As: Not Available, 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole, 1-benzoyl-3,5-bis(perfluorobutyl)pyrazole, [3,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrazol-1-yl]-phenylmethanone, [3,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrazol-1-yl]-phenyl-methanone
| Molecular Formula | C18H6F18N2O |
|---|---|
| Molecular Weight | 608.02 g/mol |
| LogP | 7.421 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.0193 |
| Heavy Atoms | 39 |
| Complexity | 1208.8754 |
Chemical Identifiers
| CAS Number | 231630-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole (CAS 231630-89-0), with molecular formula C18H6F18N2O and molecular weight 608.02 g/mol. IUPAC: [3,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrazol-1-yl]-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole
Property Insights of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole
The XLogP value of 7.421 indicates that 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole?
The CAS number of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole is 231630-89-0.
What is the molecular formula of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole?
The molecular formula of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole is C18H6F18N2O.
What is the molecular weight of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole?
The molecular weight of 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole is 608.02 g/mol.
Where can I buy 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole?
You can request a quote for 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3,5-bis(nonafluorobutyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.