![4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane structure](/static/products/847/847587-91-1.png)
4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane
TL;DR: 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane (CAS 847587-91-1) is a chemical compound with molecular formula C13H17BrN2O2S and molecular weight 344.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane
Also Known As: 4-(4-bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane, 4-(4-bromophenylsulfonyl)-1,4-diazabicyclo[3.2.2]nonane, 4-(4-Bromo-benzenesulfonyl)-1,4-diaza-bicyclo[3.2.2]nonane, 1-[(2,5-diazabicyclo[3.2.2]non-2-yl)sulfonyl]-4-bromobenzene
| Molecular Formula | C13H17BrN2O2S |
|---|---|
| Molecular Weight | 344.02 g/mol |
| LogP | 1.9178 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0194 |
| Heavy Atoms | 19 |
| Complexity | 550.51086 |
Chemical Identifiers
| CAS Number | 847587-91-1 |
|---|---|
| SMILES | C1CN2CCC1N(CC2)S(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane (CAS 847587-91-1), with molecular formula C13H17BrN2O2S and molecular weight 344.02 g/mol. IUPAC: 4-(4-bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane.
Chemical Property Profile of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane
Property Insights of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane
The XLogP value of 1.9178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane. With a topological polar surface area (TPSA) of 40.62 Ų, 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane 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-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane?
The CAS number of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane is 847587-91-1.
What is the molecular formula of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane?
The molecular formula of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane is C13H17BrN2O2S.
What is the molecular weight of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane?
The molecular weight of 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane is 344.02 g/mol.
Where can I buy 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane?
You can request a quote for 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)sulfonyl-1,4-diazabicyclo[3.2.2]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.