4-Nitrosoresorcinol
TL;DR: 4-Nitrosoresorcinol (CAS 698-31-7) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrosobenzene-1,3-diol
Also Known As: 4-Nitrosoresorcinol, Nitrosoresorcinol, 4-nitrosobenzene-1,3-diol, Resorcinol, nitroso-, 4-Nitroso-1,3-benzenediol
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 698-31-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)N=O |
| InChIKey | BJBGAAAJTDQABC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrosoresorcinol (CAS 698-31-7), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 4-nitrosobenzene-1,3-diol.
Chemical Property Profile of 4-Nitrosoresorcinol
Property Insights of 4-Nitrosoresorcinol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrosoresorcinol. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrosoresorcinol. Following Lipinski's Rule of Five, 4-Nitrosoresorcinol 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-Nitrosoresorcinol?
The CAS number of 4-Nitrosoresorcinol is 698-31-7.
What is the molecular formula of 4-Nitrosoresorcinol?
The molecular formula of 4-Nitrosoresorcinol is C6H5NO3.
What is the molecular weight of 4-Nitrosoresorcinol?
The molecular weight of 4-Nitrosoresorcinol is 139.03 g/mol.
Where can I buy 4-Nitrosoresorcinol?
You can request a quote for 4-Nitrosoresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrosoresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrosoresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.