![2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile structure](/static/products/2645/26454-81-9.webp)
2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile
TL;DR: 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile (CAS 26454-81-9) is a chemical compound with molecular formula C11H7ClN2O and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]propanedinitrile
Also Known As: Maybridge3_005849, 4-Chlorophenacylmalononitrile, 2-[2-(4-chlorophenyl)-2-oxoethyl]malononitrile, 2-[2-(4-chlorophenyl)-2-oxoethyl]propanedinitrile, IDI1_017236
| Molecular Formula | C11H7ClN2O |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.57616 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.02469 |
| Heavy Atoms | 15 |
| Complexity | 425.1411 |
Chemical Identifiers
| CAS Number | 26454-81-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(C#N)C#N)Cl |
Product Overview
2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile (CAS 26454-81-9), with molecular formula C11H7ClN2O and molecular weight 218.02 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]propanedinitrile.
Chemical Property Profile of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile
Property Insights of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile
The XLogP value of 2.57616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile. Following Lipinski's Rule of Five, 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile has 0 hydrogen bond donor(s) and 3 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 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile?
The CAS number of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile is 26454-81-9.
What is the molecular formula of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile?
The molecular formula of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile is C11H7ClN2O.
What is the molecular weight of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile?
The molecular weight of 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile is 218.02 g/mol.
Where can I buy 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile?
You can request a quote for 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chlorophenyl)-2-oxoethyl]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.