n-Cyano-4-nitrobenzamide
TL;DR: n-Cyano-4-nitrobenzamide (CAS 4874-85-5) is a chemical compound with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyano-4-nitrobenzamide
Also Known As: n-cyano-4-nitrobenzamide, 4-Nitro-N-cyanobenzamide, J3.263.964J
| Molecular Formula | C8H5N3O3 |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.0331 |
| Heavy Atoms | 14 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 4874-85-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC#N)[N+](=O)[O-] |
| InChIKey | POFXLVUXMZFIFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Cyano-4-nitrobenzamide (CAS 4874-85-5), with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol. IUPAC: N-cyano-4-nitrobenzamide.
Chemical Property Profile of n-Cyano-4-nitrobenzamide
Property Insights of n-Cyano-4-nitrobenzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Cyano-4-nitrobenzamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Cyano-4-nitrobenzamide. Following Lipinski's Rule of Five, n-Cyano-4-nitrobenzamide 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 n-Cyano-4-nitrobenzamide?
The CAS number of n-Cyano-4-nitrobenzamide is 4874-85-5.
What is the molecular formula of n-Cyano-4-nitrobenzamide?
The molecular formula of n-Cyano-4-nitrobenzamide is C8H5N3O3.
What is the molecular weight of n-Cyano-4-nitrobenzamide?
The molecular weight of n-Cyano-4-nitrobenzamide is 191.03 g/mol.
Where can I buy n-Cyano-4-nitrobenzamide?
You can request a quote for n-Cyano-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Cyano-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for n-Cyano-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.