![2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile structure](/static/products/1131/113110-96-6.webp)
2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile
TL;DR: 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile (CAS 113110-96-6) is a chemical compound with molecular formula C14H8ClN3 and molecular weight 253.04068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile
Also Known As: 2-[(2-chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile, ASN 02070800, 2-(2-Chloro-7-methyl-quinolin-3-ylmethylene)-malononitrile, Propanedinitrile, [(2-chloro-7-methyl-3-quinolinyl)methylene]-, [(2-chloro-7-methylquinolin-3-yl)methylene]malononitrile
Technical Specifications
| Molecular Formula | C14H8ClN3 |
| Molecular Weight | 253.04068 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.04068 Da |
| Heavy Atoms | 18 |
| Complexity | 420.0 |
| SMILES | CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C#N)Cl |
| InChIKey | XPIFPPZUGUVUFL-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile
Property Insights of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile
The XLogP value of 3.6 indicates that 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile 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
What is the CAS number of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile?
The CAS number of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile is 113110-96-6.
What is the molecular formula of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile is C14H8ClN3.
What is the molecular weight of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile is 253.04068 g/mol.
Where can I buy 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Chloro-7-methylquinolin-3-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.