![2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile structure](/static/products/201/201989-83-5.png)
2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile
TL;DR: 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile (CAS 201989-83-5) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
Also Known As: F0325-0058, 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile, (E)-2-(1-methyl-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene)acetoacetonitrile
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 2.38588 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 612.7158 |
Chemical Identifiers
| CAS Number | 201989-83-5 |
|---|---|
| SMILES | CC(=C(C#N)C1=NC2=CC=CC=C2N1C)O |
Product Overview
2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile (CAS 201989-83-5), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile.
Chemical Property Profile of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile
Property Insights of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile
The XLogP value of 2.38588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile. The TPSA of 61.84 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-oxobutanenitrile. Following Lipinski's Rule of Five, 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile has 1 hydrogen bond donor(s) and 3 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-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile?
The CAS number of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile is 201989-83-5.
What is the molecular formula of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile?
The molecular formula of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile is C12H11N3O.
What is the molecular weight of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile?
The molecular weight of 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile is 213.09 g/mol.
Where can I buy 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile?
You can request a quote for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.