2-Bromo-5-methylsulfonylnitrobenzene
TL;DR: 2-Bromo-5-methylsulfonylnitrobenzene (CAS 94832-06-1) 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-methylsulfonyl-2-nitrobenzene
Also Known As: 2-Bromo-5-methylsulfonylnitrobenzene, 1-Bromo-4-(methylsulfonyl)-2-nitrobenzene, 1-bromo-4-methylsulfonyl-2-nitrobenzene, 1-bromo-4-methanesulfonyl-2-nitrobenzene, 1-Bromo-4-(methylsulphonyl)-2-nitrobenzene
| Molecular Formula | C7H6BrNO4S |
|---|---|
| Molecular Weight | 278.92 g/mol |
| LogP | 1.7608 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.9201 |
| Heavy Atoms | 14 |
| Complexity | 482.4632 |
Chemical Identifiers
| CAS Number | 94832-06-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-] |
Product Overview
2-Bromo-5-methylsulfonylnitrobenzene (CAS 94832-06-1), with molecular formula C7H6BrNO4S and molecular weight 278.92 g/mol. IUPAC: 1-bromo-4-methylsulfonyl-2-nitrobenzene.
Chemical Property Profile of 2-Bromo-5-methylsulfonylnitrobenzene
Property Insights of 2-Bromo-5-methylsulfonylnitrobenzene
The XLogP value of 1.7608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-5-methylsulfonylnitrobenzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-5-methylsulfonylnitrobenzene. Following Lipinski's Rule of Five, 2-Bromo-5-methylsulfonylnitrobenzene 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 2-Bromo-5-methylsulfonylnitrobenzene?
The CAS number of 2-Bromo-5-methylsulfonylnitrobenzene is 94832-06-1.
What is the molecular formula of 2-Bromo-5-methylsulfonylnitrobenzene?
The molecular formula of 2-Bromo-5-methylsulfonylnitrobenzene is C7H6BrNO4S.
What is the molecular weight of 2-Bromo-5-methylsulfonylnitrobenzene?
The molecular weight of 2-Bromo-5-methylsulfonylnitrobenzene is 278.92 g/mol.
Where can I buy 2-Bromo-5-methylsulfonylnitrobenzene?
You can request a quote for 2-Bromo-5-methylsulfonylnitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-5-methylsulfonylnitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5-methylsulfonylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.