m-Nitrophenyl sulfate
TL;DR: m-Nitrophenyl sulfate (CAS 3233-64-5) 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.
(3-nitrophenyl) hydrogen sulfate
Also Known As: m-Nitrophenyl sulfate, 1-nitro-3-sulfooxy-benzene, (3-nitrophenyl) hydrogen sulfate, 3-Nitrophenyl hydrogen sulfate, Surfuric acid, mono(3-nitrophenyl) ester
| Molecular Formula | C6H5NO6S |
|---|---|
| Molecular Weight | 218.98 g/mol |
| LogP | 0.7764 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.98376 |
| Heavy Atoms | 14 |
| Complexity | 453.14447 |
Chemical Identifiers
| CAS Number | 3233-64-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)O)[N+](=O)[O-] |
Product Overview
m-Nitrophenyl sulfate (CAS 3233-64-5), with molecular formula C6H5NO6S and molecular weight 218.98 g/mol. IUPAC: (3-nitrophenyl) hydrogen sulfate.
Chemical Property Profile of m-Nitrophenyl sulfate
Property Insights of m-Nitrophenyl sulfate
The XLogP value of 0.7764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Nitrophenyl sulfate. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Nitrophenyl sulfate. Following Lipinski's Rule of Five, m-Nitrophenyl sulfate 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 m-Nitrophenyl sulfate?
The CAS number of m-Nitrophenyl sulfate is 3233-64-5.
What is the molecular formula of m-Nitrophenyl sulfate?
The molecular formula of m-Nitrophenyl sulfate is C6H5NO6S.
What is the molecular weight of m-Nitrophenyl sulfate?
The molecular weight of m-Nitrophenyl sulfate is 218.98 g/mol.
Where can I buy m-Nitrophenyl sulfate?
You can request a quote for m-Nitrophenyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Nitrophenyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for m-Nitrophenyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.