N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide
TL;DR: N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide (CAS 333350-28-0) is a chemical compound with molecular formula C12H10N4O3 and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide
Also Known As: N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide, BAS 00785261, N,N-Bis-cyanomethyl-3-methyl-4-nitro-benzamide, N,N-bis(cyanomethyl)(3-methyl-4-nitrophenyl)carboxamide
| Molecular Formula | C12H10N4O3 |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0753 |
| Heavy Atoms | 19 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 333350-28-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N(CC#N)CC#N)[N+](=O)[O-] |
| InChIKey | SISYNQLXJQLJIJ-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide (CAS 333350-28-0), with molecular formula C12H10N4O3 and molecular weight 258.08 g/mol. IUPAC: N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide
Property Insights of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-3-methyl-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)-3-methyl-4-nitrobenzamide?
The CAS number of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide is 333350-28-0.
What is the molecular formula of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide?
The molecular formula of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide is C12H10N4O3.
What is the molecular weight of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide?
The molecular weight of N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide is 258.08 g/mol.
Where can I buy N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide?
You can request a quote for N,N-bis(cyanomethyl)-3-methyl-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)-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.