1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane
TL;DR: 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane (CAS 7061-41-8) is a chemical compound with molecular formula C26H25N5O3S and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate
Also Known As: 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane, Ethyl 1-(4-oxo-5-{[1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxylate, ethyl 1-[4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate, ETHYL 1-[4-OXO-5-[(1-PHENYL-3-PYRIDIN-4-YL-PYRAZOL-4-YL)METHYLIDENE]-1,3-THIAZOL-2-YL]PIPERIDINE-4-CARBOXYLATE
| Molecular Formula | C26H25N5O3S |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 4.1797 |
| Topological Polar Surface Area | 89.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.16782 |
| Heavy Atoms | 35 |
| Complexity | 1278.8308 |
Chemical Identifiers
| CAS Number | 7061-41-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)S2 |
Product Overview
1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane (CAS 7061-41-8), with molecular formula C26H25N5O3S and molecular weight 487.17 g/mol. IUPAC: ethyl 1-[4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane
Property Insights of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane
The XLogP value of 4.1797 indicates that 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane. Following Lipinski's Rule of Five, 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane has 0 hydrogen bond donor(s) and 7 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 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
The CAS number of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is 7061-41-8.
What is the molecular formula of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
The molecular formula of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is C26H25N5O3S.
What is the molecular weight of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
The molecular weight of 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane is 487.17 g/mol.
Where can I buy 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
You can request a quote for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-bis(4-nitrophenyl)-1,1,2,2-tetracyanoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.