4-(Methylsulphonyl)-2-nitrophenol
TL;DR: 4-(Methylsulphonyl)-2-nitrophenol (CAS 97-10-9) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-nitrophenol
Also Known As: 4-(Methylsulfonyl)-2-nitrophenol, 4-(Methylsulphonyl)-2-nitrophenol, 4-methylsulfonyl-2-nitrophenol, 4-methanesulfonyl-2-nitrophenol, 4-Methanesulfonyl-2-nitro-phenol
| Molecular Formula | C7H7NO5S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.00449 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 97-10-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | WPYHDEFQVGUCQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylsulphonyl)-2-nitrophenol (CAS 97-10-9), with molecular formula C7H7NO5S and molecular weight 217.00 g/mol. IUPAC: 4-methylsulfonyl-2-nitrophenol.
Chemical Property Profile of 4-(Methylsulphonyl)-2-nitrophenol
Property Insights of 4-(Methylsulphonyl)-2-nitrophenol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulphonyl)-2-nitrophenol. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulphonyl)-2-nitrophenol. Following Lipinski's Rule of Five, 4-(Methylsulphonyl)-2-nitrophenol 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-(Methylsulphonyl)-2-nitrophenol?
The CAS number of 4-(Methylsulphonyl)-2-nitrophenol is 97-10-9.
What is the molecular formula of 4-(Methylsulphonyl)-2-nitrophenol?
The molecular formula of 4-(Methylsulphonyl)-2-nitrophenol is C7H7NO5S.
What is the molecular weight of 4-(Methylsulphonyl)-2-nitrophenol?
The molecular weight of 4-(Methylsulphonyl)-2-nitrophenol is 217.00 g/mol.
Where can I buy 4-(Methylsulphonyl)-2-nitrophenol?
You can request a quote for 4-(Methylsulphonyl)-2-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulphonyl)-2-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulphonyl)-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.