3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile
TL;DR: 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile (CAS 1025145-35-0) is a chemical compound with molecular formula C14H14N4O3 and molecular weight 286.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile
Also Known As: 4,4-DIMETHYL-2-(5-NITRO(3-HYDROBENZIMIDAZOL-2-YLIDENE))-3-OXOPENTANENITRILE, 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile
Technical Specifications
| Molecular Formula | C14H14N4O3 |
| Molecular Weight | 286.1066 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.1066 Da |
| Heavy Atoms | 21 |
| Complexity | 509.0 |
| SMILES | CC(C)(C)C(=C(C#N)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])O |
| InChIKey | YCIJKPMXKLVEJR-UHFFFAOYSA-N |
Chemical Property Profile of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile
Property Insights of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile
The XLogP value of 3.1 indicates that 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile. Following Lipinski's Rule of Five, 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile has 2 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 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile?
The CAS number of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile is 1025145-35-0.
What is the molecular formula of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile?
The molecular formula of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile is C14H14N4O3.
What is the molecular weight of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile?
The molecular weight of 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile is 286.1066 g/mol.
Where can I buy 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile?
You can request a quote for 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-hydroxy-4,4-dimethyl-2-(6-nitro-1H-benzimidazol-2-yl)pent-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.