4-Bromo-3-nitrobenzenesulfonic acid
TL;DR: 4-Bromo-3-nitrobenzenesulfonic acid (CAS 64976-98-3) is a chemical compound with molecular formula C6H4BrNO5S and molecular weight 280.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-nitrobenzenesulfonic acid
Also Known As: 4-bromo-3-nitrobenzenesulfonic acid, 4-Bromo-3-nitrobenzenesulphonicacid, 4-Bromo-3-nitrobenzenesulphonic acid, 4-Bromo-3-nitrobenzene-1-sulfonic acid, 4-bromo-3-nitro-benzenesulfonic acid
| Molecular Formula | C6H4BrNO5S |
|---|---|
| Molecular Weight | 280.90 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.89935 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 64976-98-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])Br |
| InChIKey | LKQYUJYPYBCDOA-UHFFFAOYSA-N |
Product Overview
4-Bromo-3-nitrobenzenesulfonic acid (CAS 64976-98-3), with molecular formula C6H4BrNO5S and molecular weight 280.90 g/mol. IUPAC: 4-bromo-3-nitrobenzenesulfonic acid.
Chemical Property Profile of 4-Bromo-3-nitrobenzenesulfonic acid
Property Insights of 4-Bromo-3-nitrobenzenesulfonic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-nitrobenzenesulfonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-3-nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Bromo-3-nitrobenzenesulfonic acid has 1 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-3-nitrobenzenesulfonic acid?
The CAS number of 4-Bromo-3-nitrobenzenesulfonic acid is 64976-98-3.
What is the molecular formula of 4-Bromo-3-nitrobenzenesulfonic acid?
The molecular formula of 4-Bromo-3-nitrobenzenesulfonic acid is C6H4BrNO5S.
What is the molecular weight of 4-Bromo-3-nitrobenzenesulfonic acid?
The molecular weight of 4-Bromo-3-nitrobenzenesulfonic acid is 280.90 g/mol.
Where can I buy 4-Bromo-3-nitrobenzenesulfonic acid?
You can request a quote for 4-Bromo-3-nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.