2-Hydroxy-4-nitrobenzonitrile
TL;DR: 2-Hydroxy-4-nitrobenzonitrile (CAS 40133-06-0) is a chemical compound with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-nitrobenzonitrile
Also Known As: 2-hydroxy-4-nitrobenzonitrile, 2-Cyano-5-nitrophenol, 2-Hydroxy-4-nitro-benzonitrile, Benzonitrile, 2-hydroxy-4-nitro-, 4-nitro-2-hydroxybenzonitrile
| Molecular Formula | C7H4N2O3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02219 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 40133-06-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])O)C#N |
| InChIKey | DZNPHVPBCNZVGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-4-nitrobenzonitrile (CAS 40133-06-0), with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol. IUPAC: 2-hydroxy-4-nitrobenzonitrile.
Chemical Property Profile of 2-Hydroxy-4-nitrobenzonitrile
Property Insights of 2-Hydroxy-4-nitrobenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-nitrobenzonitrile. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-4-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-Hydroxy-4-nitrobenzonitrile has 1 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 2-Hydroxy-4-nitrobenzonitrile?
The CAS number of 2-Hydroxy-4-nitrobenzonitrile is 40133-06-0.
What is the molecular formula of 2-Hydroxy-4-nitrobenzonitrile?
The molecular formula of 2-Hydroxy-4-nitrobenzonitrile is C7H4N2O3.
What is the molecular weight of 2-Hydroxy-4-nitrobenzonitrile?
The molecular weight of 2-Hydroxy-4-nitrobenzonitrile is 164.02 g/mol.
Where can I buy 2-Hydroxy-4-nitrobenzonitrile?
You can request a quote for 2-Hydroxy-4-nitrobenzonitrile 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-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.