N,N-bis(cyanomethyl)-3-nitrobenzamide
TL;DR: N,N-bis(cyanomethyl)-3-nitrobenzamide (CAS 54240-95-8) 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)-3-nitrobenzamide
Also Known As: N,N-bis(cyanomethyl)-3-nitrobenzamide, Benzamide, N,N-bis(cyanomethyl)-3-nitro-, N,N-Bis-cyanomethyl-3-nitro-benzamide, BAS 00623545, N,N-bis(cyanomethyl)(3-nitrophenyl)carboxamide
| Molecular Formula | C11H8N4O3 |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 1.3 |
| 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 | 407.0 |
Chemical Identifiers
| CAS Number | 54240-95-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CC#N)CC#N |
| InChIKey | LWDCUBRPCUCTHR-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-3-nitrobenzamide (CAS 54240-95-8), with molecular formula C11H8N4O3 and molecular weight 244.06 g/mol. IUPAC: N,N-bis(cyanomethyl)-3-nitrobenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-3-nitrobenzamide
Property Insights of N,N-bis(cyanomethyl)-3-nitrobenzamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-3-nitrobenzamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-3-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)-3-nitrobenzamide?
The CAS number of N,N-bis(cyanomethyl)-3-nitrobenzamide is 54240-95-8.
What is the molecular formula of N,N-bis(cyanomethyl)-3-nitrobenzamide?
The molecular formula of N,N-bis(cyanomethyl)-3-nitrobenzamide is C11H8N4O3.
What is the molecular weight of N,N-bis(cyanomethyl)-3-nitrobenzamide?
The molecular weight of N,N-bis(cyanomethyl)-3-nitrobenzamide is 244.06 g/mol.
Where can I buy N,N-bis(cyanomethyl)-3-nitrobenzamide?
You can request a quote for N,N-bis(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,N-bis(cyanomethyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.