((4-Bromophenyl)sulfonyl)nitromethane
TL;DR: ((4-Bromophenyl)sulfonyl)nitromethane (CAS 122263-08-5) is a chemical compound with molecular formula C7H6BrNO4S and molecular weight 278.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(nitromethylsulfonyl)benzene
Also Known As: 1-bromo-4-nitromethanesulfonylbenzene, 1-bromo-4-(nitromethylsulfonyl)benzene, ((4-BROMOPHENYL)SULFONYL)NITROMETHANE, 1-Bromo-4-[(nitromethyl)sulfonyl]benzene, 1-Bromo-4-(nitromethyl)sulfonylbenzene
| Molecular Formula | C7H6BrNO4S |
|---|---|
| Molecular Weight | 278.92 g/mol |
| LogP | 1.457 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.9201 |
| Heavy Atoms | 14 |
| Complexity | 439.26254 |
Chemical Identifiers
| CAS Number | 122263-08-5 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C[N+](=O)[O-])Br |
Product Overview
((4-Bromophenyl)sulfonyl)nitromethane (CAS 122263-08-5), with molecular formula C7H6BrNO4S and molecular weight 278.92 g/mol. IUPAC: 1-bromo-4-(nitromethylsulfonyl)benzene.
Chemical Property Profile of ((4-Bromophenyl)sulfonyl)nitromethane
Property Insights of ((4-Bromophenyl)sulfonyl)nitromethane
The XLogP value of 1.457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Bromophenyl)sulfonyl)nitromethane. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Bromophenyl)sulfonyl)nitromethane. Following Lipinski's Rule of Five, ((4-Bromophenyl)sulfonyl)nitromethane has 0 hydrogen bond donor(s) and 4 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-Bromophenyl)sulfonyl)nitromethane?
The CAS number of ((4-Bromophenyl)sulfonyl)nitromethane is 122263-08-5.
What is the molecular formula of ((4-Bromophenyl)sulfonyl)nitromethane?
The molecular formula of ((4-Bromophenyl)sulfonyl)nitromethane is C7H6BrNO4S.
What is the molecular weight of ((4-Bromophenyl)sulfonyl)nitromethane?
The molecular weight of ((4-Bromophenyl)sulfonyl)nitromethane is 278.92 g/mol.
Where can I buy ((4-Bromophenyl)sulfonyl)nitromethane?
You can request a quote for ((4-Bromophenyl)sulfonyl)nitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Bromophenyl)sulfonyl)nitromethane?
Yes, KEHONG BIO provides custom synthesis services for ((4-Bromophenyl)sulfonyl)nitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.