3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate
TL;DR: 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate (CAS 5879-14-1) is a chemical compound with molecular formula C21H21FN2O2 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl] 3-fluorobenzoate
Also Known As: 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate, [2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl] 3-fluorobenzoate, [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 3-fluorobenzoate
| Molecular Formula | C21H21FN2O2 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 4.83652 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1587 |
| Heavy Atoms | 26 |
| Complexity | 937.3901 |
Chemical Identifiers
| CAS Number | 5879-14-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)F |
Product Overview
3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate (CAS 5879-14-1), with molecular formula C21H21FN2O2 and molecular weight 352.16 g/mol. IUPAC: [3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl] 3-fluorobenzoate.
Chemical Property Profile of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate
Property Insights of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate
The XLogP value of 4.83652 indicates that 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate has 0 hydrogen bond donor(s) and 3 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 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate?
The CAS number of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate is 5879-14-1.
What is the molecular formula of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate?
The molecular formula of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate is C21H21FN2O2.
What is the molecular weight of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate?
The molecular weight of 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate is 352.16 g/mol.
Where can I buy 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate?
You can request a quote for 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.