4-羟基-3-硝基苯甲腈
TL;DR: 4-羟基-3-硝基苯甲腈 (CAS 3272-08-0) 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.
4-羟基-3-硝基苯甲腈
4-hydroxy-3-nitrobenzonitrile
Also Known As: 4-Hydroxy-3-nitrobenzonitrile, 2-Nitro-4-cyanophenol, 4-Cyano-2-nitrophenol, Benzonitrile, 4-hydroxy-3-nitro-, 3-nitro-4-hydroxybenzonitrile
| Molecular Formula | C7H4N2O3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.6 |
| 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 | 3272-08-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)[N+](=O)[O-])O |
| InChIKey | INBLGVOPOSGVTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3-硝基苯甲腈 (CAS 3272-08-0), with molecular formula C7H4N2O3 and molecular weight 164.02 g/mol. IUPAC: 4-hydroxy-3-nitrobenzonitrile.
Chemical Property Profile of 4-羟基-3-硝基苯甲腈
Property Insights of 4-羟基-3-硝基苯甲腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3-硝基苯甲腈. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基-3-硝基苯甲腈. Following Lipinski's Rule of Five, 4-羟基-3-硝基苯甲腈 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 4-羟基-3-硝基苯甲腈?
The CAS number of 4-羟基-3-硝基苯甲腈 is 3272-08-0.
What is the molecular formula of 4-羟基-3-硝基苯甲腈?
The molecular formula of 4-羟基-3-硝基苯甲腈 is C7H4N2O3.
What is the molecular weight of 4-羟基-3-硝基苯甲腈?
The molecular weight of 4-羟基-3-硝基苯甲腈 is 164.02 g/mol.
Where can I buy 4-羟基-3-硝基苯甲腈?
You can request a quote for 4-羟基-3-硝基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3-硝基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3-硝基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.