(1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide
TL;DR: (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide (CAS 342787-73-9) is a chemical compound with molecular formula C16H11Cl2N3O and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide
Also Known As: (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide, 2-[(2,4-dichlorophenyl)hydrazono]-3-(4-methylphenyl)-3-oxopropanenitrile
| Molecular Formula | C16H11Cl2N3O |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 4.4762 |
| Topological Polar Surface Area | 65.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.02792 |
| Heavy Atoms | 22 |
| Complexity | 776.9682 |
Chemical Identifiers
| CAS Number | 342787-73-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)/C(=N/NC2=C(C=C(C=C2)Cl)Cl)/C#N |
Product Overview
(1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide (CAS 342787-73-9), with molecular formula C16H11Cl2N3O and molecular weight 331.03 g/mol. IUPAC: (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide.
Chemical Property Profile of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide
Property Insights of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide
The XLogP value of 4.4762 indicates that (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide. Following Lipinski's Rule of Five, (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide 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 (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide?
The CAS number of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide is 342787-73-9.
What is the molecular formula of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide?
The molecular formula of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide is C16H11Cl2N3O.
What is the molecular weight of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide?
The molecular weight of (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide is 331.03 g/mol.
Where can I buy (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide?
You can request a quote for (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for (1E)-N-(2,4-dichloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.