1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866018-39-5) is a chemical compound with molecular formula C13H13FN2O3 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-5-one
Also Known As: 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 2-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-5-one, 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one, 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-2H-pyrazol-3-one
| Molecular Formula | C13H13FN2O3 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 0.84722 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.09103 |
| Heavy Atoms | 19 |
| Complexity | 655.5181 |
Chemical Identifiers
| CAS Number | 866018-39-5 |
|---|---|
| SMILES | CC1=C(C(=O)NN1C(=O)C2=CC=C(C=C2)F)CCO |
Product Overview
1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866018-39-5), with molecular formula C13H13FN2O3 and molecular weight 264.09 g/mol. IUPAC: 2-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-5-one.
Chemical Property Profile of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.84722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one has 2 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 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 866018-39-5.
What is the molecular formula of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is C13H13FN2O3.
What is the molecular weight of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 264.09 g/mol.
Where can I buy 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzoyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.