(2-Hydroxy-4-nitrophenyl) hydrogen sulfate
TL;DR: (2-Hydroxy-4-nitrophenyl) hydrogen sulfate (CAS 31390-65-5) is a chemical compound with molecular formula C6H5NO7S and molecular weight 234.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-4-nitrophenyl) hydrogen sulfate
Also Known As: p-Nitrocatechol sulfate, Pyrocatechol, 4-nitro-, sulfate, 2-hydroxy-4-nitro-1-sulfooxy-benzene, Pyrocatechol,4-nitro-,sulfate, (2-hydroxy-4-nitrophenyl) hydrogen sulfate
| Molecular Formula | C6H5NO7S |
|---|---|
| Molecular Weight | 234.98 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.97867 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 31390-65-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])O)OS(=O)(=O)O |
| InChIKey | ZVUSRLPQGXIZPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Hydroxy-4-nitrophenyl) hydrogen sulfate (CAS 31390-65-5), with molecular formula C6H5NO7S and molecular weight 234.98 g/mol. IUPAC: (2-hydroxy-4-nitrophenyl) hydrogen sulfate.
Chemical Property Profile of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate
Property Insights of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-4-nitrophenyl) hydrogen sulfate. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxy-4-nitrophenyl) hydrogen sulfate. Following Lipinski's Rule of Five, (2-Hydroxy-4-nitrophenyl) hydrogen sulfate has 2 hydrogen bond donor(s) and 7 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 (2-Hydroxy-4-nitrophenyl) hydrogen sulfate?
The CAS number of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate is 31390-65-5.
What is the molecular formula of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate?
The molecular formula of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate is C6H5NO7S.
What is the molecular weight of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate?
The molecular weight of (2-Hydroxy-4-nitrophenyl) hydrogen sulfate is 234.98 g/mol.
Where can I buy (2-Hydroxy-4-nitrophenyl) hydrogen sulfate?
You can request a quote for (2-Hydroxy-4-nitrophenyl) hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxy-4-nitrophenyl) hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-4-nitrophenyl) hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.