![4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/866/866039-59-0.png)
4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-59-0) is a chemical compound with molecular formula C12H13N3O6S and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-3-methyl-2-(4-nitrophenyl)sulfonyl-1H-pyrazol-5-one
Also Known As: 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one, 4-(2-hydroxyethyl)-3-methyl-2-(4-nitrophenyl)sulfonyl-1H-pyrazol-5-one, 4-(2-hydroxyethyl)-5-methyl-1-(4-nitrobenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one, 4-(2-Hydroxyethyl)-5-methyl-1-(4-nitrobenzene-1-sulfonyl)-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C12H13N3O6S |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 0.16482 |
| Topological Polar Surface Area | 135.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.05252 |
| Heavy Atoms | 22 |
| Complexity | 863.25684 |
Chemical Identifiers
| CAS Number | 866039-59-0 |
|---|---|
| SMILES | CC1=C(C(=O)NN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCO |
Product Overview
4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-59-0), with molecular formula C12H13N3O6S and molecular weight 327.05 g/mol. IUPAC: 4-(2-hydroxyethyl)-3-methyl-2-(4-nitrophenyl)sulfonyl-1H-pyrazol-5-one.
Chemical Property Profile of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.16482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 135.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one has 2 hydrogen bond donor(s) and 6 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)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one is 866039-59-0.
What is the molecular formula of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one is C12H13N3O6S.
What is the molecular weight of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one is 327.05 g/mol.
Where can I buy 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-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)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-hydroxyethyl)-5-methyl-1-[(4-nitrophenyl)sulfonyl]-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.