(4-Nitrophenyl)methanesulfonic acid
TL;DR: (4-Nitrophenyl)methanesulfonic acid (CAS 53992-33-9) 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-nitrophenyl)methanesulfonic acid
Also Known As: (4-nitrophenyl)methanesulfonic acid, p-Nitrobenzylsulfosaure, 4-nitrobenzylsulfonic acid, 4-Nitrobenzyl Sulfonic Acid, Benzenemethanesulfonicacid, 4-nitro-
| Molecular Formula | C7H7NO5S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.00449 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 53992-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | VWLGQKLHWIVCCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Nitrophenyl)methanesulfonic acid (CAS 53992-33-9), with molecular formula C7H7NO5S and molecular weight 217.00 g/mol. IUPAC: (4-nitrophenyl)methanesulfonic acid.
Chemical Property Profile of (4-Nitrophenyl)methanesulfonic acid
Property Insights of (4-Nitrophenyl)methanesulfonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)methanesulfonic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methanesulfonic acid. Following Lipinski's Rule of Five, (4-Nitrophenyl)methanesulfonic 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-Nitrophenyl)methanesulfonic acid?
The CAS number of (4-Nitrophenyl)methanesulfonic acid is 53992-33-9.
What is the molecular formula of (4-Nitrophenyl)methanesulfonic acid?
The molecular formula of (4-Nitrophenyl)methanesulfonic acid is C7H7NO5S.
What is the molecular weight of (4-Nitrophenyl)methanesulfonic acid?
The molecular weight of (4-Nitrophenyl)methanesulfonic acid is 217.00 g/mol.
Where can I buy (4-Nitrophenyl)methanesulfonic acid?
You can request a quote for (4-Nitrophenyl)methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.