Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-
TL;DR: Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- (CAS 3780-90-3) is a chemical compound with molecular formula C9H4N6O4 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile
Also Known As: Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-, Mesoxalonitrile, (2,4-dinitrophenyl)hydrazone, ((2,4-Dinitrophenyl)hydrazono)propanedinitrile, (2,4-dinitrophenyl)carbonohydrazonoyl dicyanide, 2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile
| Molecular Formula | C9H4N6O4 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0294 |
| Heavy Atoms | 19 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 3780-90-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C#N)C#N |
| InChIKey | LKNKPNMNXMDFIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- (CAS 3780-90-3), with molecular formula C9H4N6O4 and molecular weight 260.03 g/mol. IUPAC: 2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-
Property Insights of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-. The TPSA of 164.0 Ų indicates high polarity, suggesting Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- has 1 hydrogen bond donor(s) and 8 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 Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-?
The CAS number of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- is 3780-90-3.
What is the molecular formula of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-?
The molecular formula of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- is C9H4N6O4.
What is the molecular weight of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-?
The molecular weight of Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- is 260.03 g/mol.
Where can I buy Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-?
You can request a quote for Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.