2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile
TL;DR: 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile (CAS 946-76-9) is a chemical compound with molecular formula C9H5ClN4 and molecular weight 204.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)hydrazinylidene]propanedinitrile
Also Known As: Carbonylcyanide 4-chlorophenylhydrazone, 2-[(4-chlorophenyl)hydrazinylidene]propanedinitrile, [(4-chlorophenyl)hydrazono]malononitrile, Mesoxalonitrile, (p-chlorophenyl)hydrazone, ((4-Chlorophenyl)hydrazono)propanedinitrile
| Molecular Formula | C9H5ClN4 |
|---|---|
| Molecular Weight | 204.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.02028 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 946-76-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NN=C(C#N)C#N)Cl |
| InChIKey | LLQAOIITXFNWED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile (CAS 946-76-9), with molecular formula C9H5ClN4 and molecular weight 204.02 g/mol. IUPAC: 2-[(4-chlorophenyl)hydrazinylidene]propanedinitrile.
Chemical Property Profile of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile
Property Insights of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile
The XLogP value of 3.4 indicates that 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile 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 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile?
The CAS number of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile is 946-76-9.
What is the molecular formula of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile?
The molecular formula of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile is C9H5ClN4.
What is the molecular weight of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile?
The molecular weight of 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile is 204.02 g/mol.
Where can I buy 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile?
You can request a quote for 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(4-Chlorophenyl)hydrazinylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.