4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one
TL;DR: 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one (CAS 931608-46-7) is a chemical compound with molecular formula C11H13BrN2O3S and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromo-3-methylphenyl)sulfonylpiperazin-2-one
Also Known As: 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one, AB00770197-01, 2-piperazinone, 4-[(4-bromo-3-methylphenyl)sulfonyl]-, 4-(4-bromo-3-methylphenyl)sulfonylpiperazin-2-one, 4-(4-bromo-3-methylphenylsulfonyl)piperazin-2-one
| Molecular Formula | C11H13BrN2O3S |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 0.87802 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.98303 |
| Heavy Atoms | 18 |
| Complexity | 585.9512 |
Chemical Identifiers
| CAS Number | 931608-46-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)N2CCNC(=O)C2)Br |
Product Overview
4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one (CAS 931608-46-7), with molecular formula C11H13BrN2O3S and molecular weight 331.98 g/mol. IUPAC: 4-(4-bromo-3-methylphenyl)sulfonylpiperazin-2-one.
Chemical Property Profile of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one
Property Insights of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one
The XLogP value of 0.87802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one. Following Lipinski's Rule of Five, 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one has 1 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-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one?
The CAS number of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one is 931608-46-7.
What is the molecular formula of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one?
The molecular formula of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one is C11H13BrN2O3S.
What is the molecular weight of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one?
The molecular weight of 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one is 331.98 g/mol.
Where can I buy 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one?
You can request a quote for 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Bromo-3-methylphenyl)sulfonyl)piperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.