4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one (CAS 1023502-23-9) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenylpyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-3-(((4-METHYLPHENYL)SULFONYL)METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-bromo-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenylpyrazol-3-one, 4-bromo-1-methyl-2-phenyl-5-(p-tolylsulfonylmethyl)pyrazol-3-one, 4-bromo-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenyl-pyrazol-3-one, 4-bromo-1-methyl-5-[(4-methylbenzenesulfonyl)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C18H17BrN2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 3.22082 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.01434 |
| Heavy Atoms | 25 |
| Complexity | 1066.0042 |
Chemical Identifiers
| CAS Number | 1023502-23-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br |
Product Overview
4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one (CAS 1023502-23-9), with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol. IUPAC: 4-bromo-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one
The XLogP value of 3.22082 indicates that 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one. Following Lipinski's Rule of Five, 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one has 0 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 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one is 1023502-23-9.
What is the molecular formula of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one is C18H17BrN2O3S.
What is the molecular weight of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one is 420.01 g/mol.
Where can I buy 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methyl-3-(((4-methylphenyl)sulfonyl)methyl)-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.