对硝基苯基硫酸酯
TL;DR: 对硝基苯基硫酸酯 (CAS 1080-04-2) is a chemical compound with molecular formula C6H5NO6S and molecular weight 218.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对硝基苯基硫酸酯
(4-nitrophenyl) hydrogen sulfate
Also Known As: 4-Nitrophenyl sulfate, p-Nitrophenol sulfate, p-Nitrophenyl sulfate, para-Nitrophenyl sulfate, p-nitro-Phenol
| Molecular Formula | C6H5NO6S |
|---|---|
| Molecular Weight | 218.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.98376 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 1080-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)O |
| InChIKey | JBGHTSSFSSUKLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对硝基苯基硫酸酯 (CAS 1080-04-2), with molecular formula C6H5NO6S and molecular weight 218.98 g/mol. IUPAC: (4-nitrophenyl) hydrogen sulfate.
Chemical Property Profile of 对硝基苯基硫酸酯
Property Insights of 对硝基苯基硫酸酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对硝基苯基硫酸酯. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 对硝基苯基硫酸酯. Following Lipinski's Rule of Five, 对硝基苯基硫酸酯 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 对硝基苯基硫酸酯?
The CAS number of 对硝基苯基硫酸酯 is 1080-04-2.
What is the molecular formula of 对硝基苯基硫酸酯?
The molecular formula of 对硝基苯基硫酸酯 is C6H5NO6S.
What is the molecular weight of 对硝基苯基硫酸酯?
The molecular weight of 对硝基苯基硫酸酯 is 218.98 g/mol.
Where can I buy 对硝基苯基硫酸酯?
You can request a quote for 对硝基苯基硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基苯基硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 对硝基苯基硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.