3-Cyano-5-nitrobenzamide
TL;DR: 3-Cyano-5-nitrobenzamide (CAS 50826-03-4) 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.
3-cyano-5-nitrobenzamide
Also Known As: 3-cyano-5-nitrobenzamide
| Molecular Formula | C8H5N3O3 |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 0.56538 |
| Topological Polar Surface Area | 110.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0331 |
| Heavy Atoms | 14 |
| Complexity | 415.38498 |
Chemical Identifiers
| CAS Number | 50826-03-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])C#N |
Product Overview
3-Cyano-5-nitrobenzamide (CAS 50826-03-4), with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol. IUPAC: 3-cyano-5-nitrobenzamide.
Chemical Property Profile of 3-Cyano-5-nitrobenzamide
Property Insights of 3-Cyano-5-nitrobenzamide
The XLogP value of 0.56538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-5-nitrobenzamide. The TPSA of 110.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-5-nitrobenzamide. Following Lipinski's Rule of Five, 3-Cyano-5-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 3-Cyano-5-nitrobenzamide?
The CAS number of 3-Cyano-5-nitrobenzamide is 50826-03-4.
What is the molecular formula of 3-Cyano-5-nitrobenzamide?
The molecular formula of 3-Cyano-5-nitrobenzamide is C8H5N3O3.
What is the molecular weight of 3-Cyano-5-nitrobenzamide?
The molecular weight of 3-Cyano-5-nitrobenzamide is 191.03 g/mol.
Where can I buy 3-Cyano-5-nitrobenzamide?
You can request a quote for 3-Cyano-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.