4-Nitroresorcinol
TL;DR: 4-Nitroresorcinol (CAS 3163-07-3) is a chemical compound with molecular formula C6H5NO4 and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrobenzene-1,3-diol
Also Known As: 4-nitrobenzene-1,3-diol, 4-Nitroresorcinol, 1,3-Benzenediol, 4-nitro-, 2,4-Dihydroxy-nitrophenol, 4-nitro-1,3-benzenediol
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 3163-07-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)[N+](=O)[O-] |
| InChIKey | CYEZXDVLBGFROE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitroresorcinol (CAS 3163-07-3), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 4-nitrobenzene-1,3-diol.
Chemical Property Profile of 4-Nitroresorcinol
Property Insights of 4-Nitroresorcinol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroresorcinol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroresorcinol. Following Lipinski's Rule of Five, 4-Nitroresorcinol has 2 hydrogen bond donor(s) and 4 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-Nitroresorcinol?
The CAS number of 4-Nitroresorcinol is 3163-07-3.
What is the molecular formula of 4-Nitroresorcinol?
The molecular formula of 4-Nitroresorcinol is C6H5NO4.
What is the molecular weight of 4-Nitroresorcinol?
The molecular weight of 4-Nitroresorcinol is 155.02 g/mol.
Where can I buy 4-Nitroresorcinol?
You can request a quote for 4-Nitroresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.