4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-65-8) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-one
Also Known As: 5W-0232, 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one, 4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-one, 4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 1.19228 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 897.2825 |
Chemical Identifiers
| CAS Number | 866039-65-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=O)N2C)CCO)C)C |
Product Overview
4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-65-8), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-one.
Chemical Property Profile of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 1.19228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-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 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one is 866039-65-8.
What is the molecular formula of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one is C16H22N2O4S.
What is the molecular weight of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one is 338.13 g/mol.
Where can I buy 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-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 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.