4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole
TL;DR: 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole (CAS 1029636-21-2) is a chemical compound with molecular formula C13H8ClF7N2O and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(4-methoxyphenyl)-1H-pyrazole
Also Known As: 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole, 4-chloro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(4-methoxyphenyl)-1H-pyrazole, 4-chloro-3-(heptafluoropropyl)-5-(4-methoxyphenyl)-1H-pyrazole, 4-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(4-methoxyphenyl)-2H-pyrazole
| Molecular Formula | C13H8ClF7N2O |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 5.0281 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.02133 |
| Heavy Atoms | 24 |
| Complexity | 724.9117 |
Chemical Identifiers
| CAS Number | 1029636-21-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2Cl)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole (CAS 1029636-21-2), with molecular formula C13H8ClF7N2O and molecular weight 376.02 g/mol. IUPAC: 4-chloro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(4-methoxyphenyl)-1H-pyrazole.
Chemical Property Profile of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole
Property Insights of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole
The XLogP value of 5.0281 indicates that 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole 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 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole?
The CAS number of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole is 1029636-21-2.
What is the molecular formula of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole?
The molecular formula of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole is C13H8ClF7N2O.
What is the molecular weight of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole?
The molecular weight of 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole is 376.02 g/mol.
Where can I buy 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole?
You can request a quote for 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-(4-methoxyphenyl)-3-perfluopropylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.