![2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile structure](/static/products/1024/1024246-39-6.webp)
2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile
TL;DR: 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile (CAS 1024246-39-6) is a chemical compound with molecular formula C10H5ClN4O2 and molecular weight 248.0101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chloro-2-nitroanilino)methylidene]propanedinitrile
Also Known As: 2-{[(4-chloro-2-nitrophenyl)amino]methylidene}propanedinitrile, 2-[(4-chloro-2-nitroanilino)methylene]malononitrile, 2-[(4-chloro-2-nitroanilino)methylidene]propanedinitrile, 2-[(4-chloro-2-nitro-anilino)methylene]propanedinitrile, (((4-CHLORO-2-NITROPHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE
Technical Specifications
| Molecular Formula | C10H5ClN4O2 |
| Molecular Weight | 248.0101 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0101 Da |
| Heavy Atoms | 17 |
| Complexity | 407.0 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC=C(C#N)C#N |
| InChIKey | RLMQNCQAMOOXCD-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile
Property Insights of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile has 1 hydrogen bond donor(s) and 5 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-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
The CAS number of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile is 1024246-39-6.
What is the molecular formula of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
The molecular formula of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile is C10H5ClN4O2.
What is the molecular weight of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
The molecular weight of 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile is 248.0101 g/mol.
Where can I buy 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
You can request a quote for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-{[(4-Chloro-2-nitrophenyl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.