3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
TL;DR: 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole (CAS 1029636-49-4) is a chemical compound with molecular formula C16H9F13N2O and molecular weight 492.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
Also Known As: 5-(4-Methoxyphenyl)-3-perfluorohexyl-1H-pyrazole, 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole, 3-(4-methoxyphenyl)-5-(tridecafluorohexyl)-2H-pyrazole
| Molecular Formula | C16H9F13N2O |
|---|---|
| Molecular Weight | 492.05 g/mol |
| LogP | 6.2806 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.05072 |
| Heavy Atoms | 32 |
| Complexity | 947.58734 |
Chemical Identifiers
| CAS Number | 1029636-49-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole (CAS 1029636-49-4), with molecular formula C16H9F13N2O and molecular weight 492.05 g/mol. IUPAC: 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole.
Chemical Property Profile of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
Property Insights of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
The XLogP value of 6.2806 indicates that 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole has 1 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 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole?
The CAS number of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole is 1029636-49-4.
What is the molecular formula of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole?
The molecular formula of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole is C16H9F13N2O.
What is the molecular weight of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole?
The molecular weight of 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole is 492.05 g/mol.
Where can I buy 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole?
You can request a quote for 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.