![2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile structure](/static/products/116/1164481-73-5.webp)
2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile
TL;DR: 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile (CAS 1164481-73-5) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)prop-2-enenitrile
Also Known As: 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile
Technical Specifications
| Molecular Formula | C22H22N4O3S |
| Molecular Weight | 422.14127 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.14127 Da |
| Heavy Atoms | 30 |
| Complexity | 798.0 |
| SMILES | CN1C2=CC=CC=C2N=C1C(=C(C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)O)C#N |
| InChIKey | DWRAVFZEXVWHDO-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile
Property Insights of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile. Following Lipinski's Rule of Five, 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile has 1 hydrogen bond donor(s) and 6 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-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile?
The CAS number of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile is 1164481-73-5.
What is the molecular formula of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile?
The molecular formula of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile is C22H22N4O3S.
What is the molecular weight of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile?
The molecular weight of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile is 422.14127 g/mol.
Where can I buy 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile?
You can request a quote for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxo-3-[4-(piperidine-1-sulfonyl)phenyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.