![4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile structure](/static/products/419/41902-91-4.png)
4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile
TL;DR: 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile (CAS 41902-91-4) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile
Also Known As: 4-[C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile
| Molecular Formula | C15H12N4O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 3.30258 |
| Topological Polar Surface Area | 91.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.09604 |
| Heavy Atoms | 21 |
| Complexity | 712.834 |
Chemical Identifiers
| CAS Number | 41902-91-4 |
|---|---|
| SMILES | C/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=C(C=C2)C#N |
Product Overview
4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile (CAS 41902-91-4), with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol. IUPAC: 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile.
Chemical Property Profile of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile
Property Insights of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile
The XLogP value of 3.30258 indicates that 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile has 1 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 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile?
The CAS number of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile is 41902-91-4.
What is the molecular formula of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile?
The molecular formula of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile is C15H12N4O2.
What is the molecular weight of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile?
The molecular weight of 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile is 280.10 g/mol.
Where can I buy 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile?
You can request a quote for 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.