![2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile structure](/static/products/891/891055-34-8.png)
2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 891055-34-8) is a chemical compound with molecular formula C14H13Cl2NO and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3-dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-[(2,3-dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2Z)-2-[(2,3-dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (Z)-3-(2,3-dichlorophenyl)-2-(2,2-dimethylpropanoyl)-2-propenenitrile, 2-[(2,3-dichlorophenyl)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, 3-(2,3-DICHLOROPHENYL)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE
| Molecular Formula | C14H13Cl2NO |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 4.51558 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.0374 |
| Heavy Atoms | 18 |
| Complexity | 547.8929 |
Chemical Identifiers
| CAS Number | 891055-34-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=C(C(=CC=C1)Cl)Cl)C#N |
Product Overview
2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile (CAS 891055-34-8), with molecular formula C14H13Cl2NO and molecular weight 281.04 g/mol. IUPAC: 2-[(2,3-dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 4.51558 indicates that 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile has 0 hydrogen bond donor(s) and 2 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-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 891055-34-8.
What is the molecular formula of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is C14H13Cl2NO.
What is the molecular weight of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile is 281.04 g/mol.
Where can I buy 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,3-Dichlorophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.