2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 866040-25-7) is a chemical compound with molecular formula C11H20N2O4S and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-1-methylsulfonylpyrazol-3-one
Also Known As: 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one, 2-tert-butyl-4-(2-hydroxyethyl)-1-methanesulfonyl-5-methyl-2,3-dihydro-1H-pyrazol-3-one, 2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-1-methylsulfonylpyrazol-3-one, 5W-0374, 2-tert-butyl-4-(2-hydroxyethyl)-1-methanesulfonyl-5-methylpyrazol-3-one
| Molecular Formula | C11H20N2O4S |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 0.05572 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.11438 |
| Heavy Atoms | 18 |
| Complexity | 602.2133 |
Chemical Identifiers
| CAS Number | 866040-25-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1S(=O)(=O)C)C(C)(C)C)CCO |
Product Overview
2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 866040-25-7), with molecular formula C11H20N2O4S and molecular weight 276.11 g/mol. IUPAC: 2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-1-methylsulfonylpyrazol-3-one.
Chemical Property Profile of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.05572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 4 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 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one is 866040-25-7.
What is the molecular formula of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one is C11H20N2O4S.
What is the molecular weight of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one is 276.11 g/mol.
Where can I buy 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-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 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.