Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-
TL;DR: Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- (CAS 67821-33-4) is a chemical compound with molecular formula C17H9N3O4 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzoate
Also Known As: perchlorophenyllithium, Propanedinitrile, ((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-, [4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzoate, Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-, 4-(2,2-Dicyanoethen-1-yl)phenyl 4-nitrobenzoate
| Molecular Formula | C17H9N3O4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.24456 |
| Topological Polar Surface Area | 117.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0593 |
| Heavy Atoms | 24 |
| Complexity | 869.4183 |
Chemical Identifiers
| CAS Number | 67821-33-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- (CAS 67821-33-4), with molecular formula C17H9N3O4 and molecular weight 319.06 g/mol. IUPAC: [4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzoate.
Chemical Property Profile of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-
Property Insights of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-
The XLogP value of 3.24456 indicates that Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-. Following Lipinski's Rule of Five, Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- has 0 hydrogen bond donor(s) and 6 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-((4-nitrobenzoyl)oxy)phenyl)methylene)-?
The CAS number of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- is 67821-33-4.
What is the molecular formula of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-?
The molecular formula of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- is C17H9N3O4.
What is the molecular weight of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-?
The molecular weight of Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- is 319.06 g/mol.
Where can I buy Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-?
You can request a quote for Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- 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-((4-nitrobenzoyl)oxy)phenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-((4-((4-nitrobenzoyl)oxy)phenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.