N-(cyanomethyl)-3-nitrobenzamide
TL;DR: N-(cyanomethyl)-3-nitrobenzamide (CAS 5554-36-9) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-3-nitrobenzamide
Also Known As: N-(cyanomethyl)-3-nitrobenzamide, N-(cyanomethyl)-3-nitro-benzamide, benzamide, n-(cyanomethyl)-3-nitro-
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 0.84818 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 436.47388 |
Chemical Identifiers
| CAS Number | 5554-36-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC#N |
Product Overview
N-(cyanomethyl)-3-nitrobenzamide (CAS 5554-36-9), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: N-(cyanomethyl)-3-nitrobenzamide.
Chemical Property Profile of N-(cyanomethyl)-3-nitrobenzamide
Property Insights of N-(cyanomethyl)-3-nitrobenzamide
The XLogP value of 0.84818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-3-nitrobenzamide. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-3-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-(cyanomethyl)-3-nitrobenzamide?
The CAS number of N-(cyanomethyl)-3-nitrobenzamide is 5554-36-9.
What is the molecular formula of N-(cyanomethyl)-3-nitrobenzamide?
The molecular formula of N-(cyanomethyl)-3-nitrobenzamide is C9H7N3O3.
What is the molecular weight of N-(cyanomethyl)-3-nitrobenzamide?
The molecular weight of N-(cyanomethyl)-3-nitrobenzamide is 205.05 g/mol.
Where can I buy N-(cyanomethyl)-3-nitrobenzamide?
You can request a quote for N-(cyanomethyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.