![2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile structure](/static/products/459/459789-86-7.png)
2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile
TL;DR: 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile (CAS 459789-86-7) is a chemical compound with molecular formula C28H19ClN2O2S and molecular weight 482.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)-(2-hydroxy-6-oxo-3,5-diphenyl-4-sulfanylidenecyclohexen-1-yl)methyl]propanedinitrile
Also Known As: 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile, 2-[(4-chlorophenyl)-(2-hydroxy-6-oxo-3,5-diphenyl-4-sulfanylidenecyclohexen-1-yl)methyl]propanedinitrile
| Molecular Formula | C28H19ClN2O2S |
|---|---|
| Molecular Weight | 482.09 g/mol |
| LogP | 6.41926 |
| Topological Polar Surface Area | 84.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.08557 |
| Heavy Atoms | 34 |
| Complexity | 1325.1536 |
Chemical Identifiers
| CAS Number | 459789-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=S)C(C(=O)C(=C2O)C(C3=CC=C(C=C3)Cl)C(C#N)C#N)C4=CC=CC=C4 |
Product Overview
2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile (CAS 459789-86-7), with molecular formula C28H19ClN2O2S and molecular weight 482.09 g/mol. IUPAC: 2-[(4-chlorophenyl)-(2-hydroxy-6-oxo-3,5-diphenyl-4-sulfanylidenecyclohexen-1-yl)methyl]propanedinitrile.
Chemical Property Profile of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile
Property Insights of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile
The XLogP value of 6.41926 indicates that 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile. Following Lipinski's Rule of Five, 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile?
The CAS number of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile is 459789-86-7.
What is the molecular formula of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile?
The molecular formula of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile is C28H19ClN2O2S.
What is the molecular weight of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile?
The molecular weight of 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile is 482.09 g/mol.
Where can I buy 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile?
You can request a quote for 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-chlorophenyl)(6'-hydroxy-4'-oxo-2'-thioxo-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-5'-yl)methyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.