N,N-bis(cyanomethyl)-4-nitrobenzamide
TL;DR: N,N-bis(cyanomethyl)-4-nitrobenzamide (CAS 54240-90-3) is a chemical compound with molecular formula C11H8N4O3 and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-4-nitrobenzamide
Also Known As: N,N-bis(cyanomethyl)-4-nitrobenzamide, N,N-bis(cyanomethyl)(4-nitrophenyl)carboxamide
| Molecular Formula | C11H8N4O3 |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.05965 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 54240-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N(CC#N)CC#N)[N+](=O)[O-] |
| InChIKey | ZWZKUNREHKUYKW-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-4-nitrobenzamide (CAS 54240-90-3), with molecular formula C11H8N4O3 and molecular weight 244.06 g/mol. IUPAC: N,N-bis(cyanomethyl)-4-nitrobenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-4-nitrobenzamide
Property Insights of N,N-bis(cyanomethyl)-4-nitrobenzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-4-nitrobenzamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-4-nitrobenzamide has 0 hydrogen bond donor(s) and 5 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,N-bis(cyanomethyl)-4-nitrobenzamide?
The CAS number of N,N-bis(cyanomethyl)-4-nitrobenzamide is 54240-90-3.
What is the molecular formula of N,N-bis(cyanomethyl)-4-nitrobenzamide?
The molecular formula of N,N-bis(cyanomethyl)-4-nitrobenzamide is C11H8N4O3.
What is the molecular weight of N,N-bis(cyanomethyl)-4-nitrobenzamide?
The molecular weight of N,N-bis(cyanomethyl)-4-nitrobenzamide is 244.06 g/mol.
Where can I buy N,N-bis(cyanomethyl)-4-nitrobenzamide?
You can request a quote for N,N-bis(cyanomethyl)-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,N-bis(cyanomethyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.