4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
TL;DR: 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one (CAS 674817-56-2) is a chemical compound with molecular formula C15H17BrN4O3S and molecular weight 412.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
Also Known As: 4-bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one, 4-bromo-5-[4-(methylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3(2H)-one, 4-bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyridazin-3-one
| Molecular Formula | C15H17BrN4O3S |
|---|---|
| Molecular Weight | 412.02 g/mol |
| LogP | 1.0766 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.02048 |
| Heavy Atoms | 24 |
| Complexity | 890.68036 |
Chemical Identifiers
| CAS Number | 674817-56-2 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br |
Product Overview
4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one (CAS 674817-56-2), with molecular formula C15H17BrN4O3S and molecular weight 412.02 g/mol. IUPAC: 4-bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one.
Chemical Property Profile of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
Property Insights of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one
The XLogP value of 1.0766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one. Following Lipinski's Rule of Five, 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one has 0 hydrogen bond donor(s) and 5 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-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
The CAS number of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one is 674817-56-2.
What is the molecular formula of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
The molecular formula of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one is C15H17BrN4O3S.
What is the molecular weight of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
The molecular weight of 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one is 412.02 g/mol.
Where can I buy 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
You can request a quote for 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-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-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.