4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid
TL;DR: 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid (CAS 85895-88-1) is a chemical compound with molecular formula C7H7NO6S and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methyl-5-nitrobenzenesulfonic acid
Also Known As: EINECS 288-763-8, 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid, 4-hydroxy-3-methyl-5-nitrobenzenesulfonic acid, 4-hydroxy-3-methyl-5-nitrobenzene-1-sulfonic acid
| Molecular Formula | C7H7NO6S |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 0.85552 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.9994 |
| Heavy Atoms | 15 |
| Complexity | 520.5271 |
Chemical Identifiers
| CAS Number | 85895-88-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid (CAS 85895-88-1), with molecular formula C7H7NO6S and molecular weight 233.00 g/mol. IUPAC: 4-hydroxy-3-methyl-5-nitrobenzenesulfonic acid.
Chemical Property Profile of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid
Property Insights of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid
The XLogP value of 0.85552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid. Following Lipinski's Rule of Five, 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid has 2 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-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid?
The CAS number of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid is 85895-88-1.
What is the molecular formula of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid?
The molecular formula of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid is C7H7NO6S.
What is the molecular weight of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid?
The molecular weight of 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid is 233.00 g/mol.
Where can I buy 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid?
You can request a quote for 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methyl-5-nitrobenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.