![2-[(2-Benzoylanilino)methylene]malononitrile structure](/static/products/853/853310-37-9.png)
2-[(2-Benzoylanilino)methylene]malononitrile
TL;DR: 2-[(2-Benzoylanilino)methylene]malononitrile (CAS 853310-37-9) is a chemical compound with molecular formula C17H11N3O and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-benzoylanilino)methylidene]propanedinitrile
Also Known As: 2-[(2-benzoylanilino)methylene]malononitrile, 2-((2-benzoylanilino)methylene)malononitrile, 2-[(2-benzoylanilino)methylidene]propanedinitrile
| Molecular Formula | C17H11N3O |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 3.26056 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0902 |
| Heavy Atoms | 21 |
| Complexity | 748.6125 |
Chemical Identifiers
| CAS Number | 853310-37-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC=C(C#N)C#N |
Product Overview
2-[(2-Benzoylanilino)methylene]malononitrile (CAS 853310-37-9), with molecular formula C17H11N3O and molecular weight 273.09 g/mol. IUPAC: 2-[(2-benzoylanilino)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(2-Benzoylanilino)methylene]malononitrile
Property Insights of 2-[(2-Benzoylanilino)methylene]malononitrile
The XLogP value of 3.26056 indicates that 2-[(2-Benzoylanilino)methylene]malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Benzoylanilino)methylene]malononitrile. Following Lipinski's Rule of Five, 2-[(2-Benzoylanilino)methylene]malononitrile has 1 hydrogen bond donor(s) and 4 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-Benzoylanilino)methylene]malononitrile?
The CAS number of 2-[(2-Benzoylanilino)methylene]malononitrile is 853310-37-9.
What is the molecular formula of 2-[(2-Benzoylanilino)methylene]malononitrile?
The molecular formula of 2-[(2-Benzoylanilino)methylene]malononitrile is C17H11N3O.
What is the molecular weight of 2-[(2-Benzoylanilino)methylene]malononitrile?
The molecular weight of 2-[(2-Benzoylanilino)methylene]malononitrile is 273.09 g/mol.
Where can I buy 2-[(2-Benzoylanilino)methylene]malononitrile?
You can request a quote for 2-[(2-Benzoylanilino)methylene]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-Benzoylanilino)methylene]malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Benzoylanilino)methylene]malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.