![4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/866/866039-77-2.png)
4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-77-2) is a chemical compound with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenylpyrazol-3-one
Also Known As: 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 5W-0251, 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenylpyrazol-3-one, 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrobenzenesulfonyl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 1.62742 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 1195.8041 |
Chemical Identifiers
| CAS Number | 866039-77-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)CCO |
Product Overview
4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-77-2), with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol. IUPAC: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 1.62742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 124.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one has 1 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-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 866039-77-2.
What is the molecular formula of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is C18H17N3O6S.
What is the molecular weight of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one is 403.08 g/mol.
Where can I buy 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-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-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-hydroxyethyl)-5-methyl-1-[(2-nitrophenyl)sulfonyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.