4-Amino-2-nitrobenzonitrile
TL;DR: 4-Amino-2-nitrobenzonitrile (CAS 72115-07-2) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-nitrobenzonitrile
Also Known As: 4-Amino-2-nitrobenzonitrile, 4-amino-2-nitro-benzonitrile, Benzonitrile, 4-amino-2-nitro-
| Molecular Formula | C7H5N3O2 |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 72115-07-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)[N+](=O)[O-])C#N |
| InChIKey | VJEWYKBLQBJAME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-nitrobenzonitrile (CAS 72115-07-2), with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol. IUPAC: 4-amino-2-nitrobenzonitrile.
Chemical Property Profile of 4-Amino-2-nitrobenzonitrile
Property Insights of 4-Amino-2-nitrobenzonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-nitrobenzonitrile. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-Amino-2-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 4-Amino-2-nitrobenzonitrile?
The CAS number of 4-Amino-2-nitrobenzonitrile is 72115-07-2.
What is the molecular formula of 4-Amino-2-nitrobenzonitrile?
The molecular formula of 4-Amino-2-nitrobenzonitrile is C7H5N3O2.
What is the molecular weight of 4-Amino-2-nitrobenzonitrile?
The molecular weight of 4-Amino-2-nitrobenzonitrile is 163.04 g/mol.
Where can I buy 4-Amino-2-nitrobenzonitrile?
You can request a quote for 4-Amino-2-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.