![[(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile structure](/static/products/459/459789-83-4.png)
[(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile
TL;DR: [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile (CAS 459789-83-4) is a chemical compound with molecular formula C28H19N3O4S and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-6-oxo-3,5-diphenyl-4-sulfanylidenecyclohexen-1-yl)-(4-nitrophenyl)methyl]propanedinitrile
Also Known As: [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile|2-((6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)(4-nitrophenyl)methyl)malononitrile|2-[(2-hydroxy-6-oxo-3,5-diphenyl-4-sulfanylidenecyclohexen-1-yl)-(4-nitrophenyl)methyl]propanedinitrile
| Molecular Formula | C28H19N3O4S |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 5.67406 |
| Topological Polar Surface Area | 128.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.10962 |
| Heavy Atoms | 36 |
| Complexity | 1424.1102 |
Chemical Identifiers
| CAS Number | 459789-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=S)C(C(=O)C(=C2O)C(C3=CC=C(C=C3)[N+](=O)[O-])C(C#N)C#N)C4=CC=CC=C4 |
Product Overview
[(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile (CAS 459789-83-4), with molecular formula C28H19N3O4S and molecular weight 493.11 g/mol. IUPAC: 2-[(2-hydroxy-6-oxo-3,5-diphenyl-4-sulfanylidenecyclohexen-1-yl)-(4-nitrophenyl)methyl]propanedinitrile.
Chemical Property Profile of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile
Property Insights of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile
The XLogP value of 5.67406 indicates that [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.02 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile. Following Lipinski's Rule of Five, [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile?
The CAS number of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile is 459789-83-4.
What is the molecular formula of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile?
The molecular formula of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile is C28H19N3O4S.
What is the molecular weight of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile?
The molecular weight of [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile is 493.11 g/mol.
Where can I buy [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile?
You can request a quote for [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(2-hydroxy-6-oxo-3,5-diphenyl-4-thioxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.