2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile
TL;DR: 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile (CAS 476479-84-2) is a chemical compound with molecular formula C18H12Cl2N2O and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-bis(2-chlorophenyl)-3-oxopropyl]propanedinitrile
Also Known As: 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile, 2-[1,3-bis(2-chlorophenyl)-3-oxopropyl]malononitrile, 2-[1,3-bis(2-chlorophenyl)-3-oxo-propyl]propanedinitrile, 2-[1,3-bis(2-chlorophenyl)-3-oxopropyl]propanedinitrile, 632-335-9
| Molecular Formula | C18H12Cl2N2O |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 5.01336 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.03265 |
| Heavy Atoms | 23 |
| Complexity | 791.15424 |
Chemical Identifiers
| CAS Number | 476479-84-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CC(=O)C2=CC=CC=C2Cl)C(C#N)C#N)Cl |
Product Overview
2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile (CAS 476479-84-2), with molecular formula C18H12Cl2N2O and molecular weight 342.03 g/mol. IUPAC: 2-[1,3-bis(2-chlorophenyl)-3-oxopropyl]propanedinitrile.
Chemical Property Profile of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile
Property Insights of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile
The XLogP value of 5.01336 indicates that 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile. Following Lipinski's Rule of Five, 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile?
The CAS number of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile is 476479-84-2.
What is the molecular formula of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile?
The molecular formula of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile is C18H12Cl2N2O.
What is the molecular weight of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile?
The molecular weight of 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile is 342.03 g/mol.
Where can I buy 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile?
You can request a quote for 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Bis(2-chlorophenyl)-3-oxopropyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.