1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline
TL;DR: 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline (CAS 331835-05-3) is a chemical compound with molecular formula C13H13F3N2O4 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dihydroxyphenyl)-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline, (2,4-dihydroxyphenyl)-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, (2,4-Dihydroxyphenyl)[3-ethyl-4,5-dihydro-5-hydroxy-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanone, 4-([3-Ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl)-1,3-benzenediol #
| Molecular Formula | C13H13F3N2O4 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.08273 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 331835-05-3 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C=C(C=C2)O)O |
| InChIKey | KBQUJRSVUIYJPZ-UHFFFAOYSA-N |
Product Overview
1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline (CAS 331835-05-3), with molecular formula C13H13F3N2O4 and molecular weight 318.08 g/mol. IUPAC: (2,4-dihydroxyphenyl)-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline
Property Insights of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline. Following Lipinski's Rule of Five, 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline has 3 hydrogen bond donor(s) and 8 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 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline?
The CAS number of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline is 331835-05-3.
What is the molecular formula of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline?
The molecular formula of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline is C13H13F3N2O4.
What is the molecular weight of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline?
The molecular weight of 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline is 318.08 g/mol.
Where can I buy 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline?
You can request a quote for 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.