(4-硝基苯基)甲基硫酸氢酯
TL;DR: (4-硝基苯基)甲基硫酸氢酯 (CAS 89090-09-5) 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-硝基苯基)甲基硫酸氢酯
(4-nitrophenyl)methyl hydrogen sulfate
Also Known As: (4-Nitrophenyl)methyl hydrogen sulfate, p-Nitrobenzylschwefelsaure, 4-nitrobenzyl hydrogen sulfate, 1-nitro-4-(sulfooxymethyl)benzene, RefChem:208984
| Molecular Formula | C7H7NO6S |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.9994 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 89090-09-5 |
|---|---|
| SMILES | C1=CC(=CC=C1COS(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | FXFRYNLETONTFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-硝基苯基)甲基硫酸氢酯 (CAS 89090-09-5), with molecular formula C7H7NO6S and molecular weight 233.00 g/mol. IUPAC: (4-nitrophenyl)methyl hydrogen sulfate.
Chemical Property Profile of (4-硝基苯基)甲基硫酸氢酯
Property Insights of (4-硝基苯基)甲基硫酸氢酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-硝基苯基)甲基硫酸氢酯. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-硝基苯基)甲基硫酸氢酯. Following Lipinski's Rule of Five, (4-硝基苯基)甲基硫酸氢酯 has 1 hydrogen bond donor(s) and 6 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-硝基苯基)甲基硫酸氢酯?
The CAS number of (4-硝基苯基)甲基硫酸氢酯 is 89090-09-5.
What is the molecular formula of (4-硝基苯基)甲基硫酸氢酯?
The molecular formula of (4-硝基苯基)甲基硫酸氢酯 is C7H7NO6S.
What is the molecular weight of (4-硝基苯基)甲基硫酸氢酯?
The molecular weight of (4-硝基苯基)甲基硫酸氢酯 is 233.00 g/mol.
Where can I buy (4-硝基苯基)甲基硫酸氢酯?
You can request a quote for (4-硝基苯基)甲基硫酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-硝基苯基)甲基硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for (4-硝基苯基)甲基硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.