(2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile
TL;DR: (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile (CAS 92534-61-7) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxy-3-imidazol-1-yl-4-methylpent-2-enenitrile
Also Known As: (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile, (E)-4-hydroxy-3-imidazol-1-yl-4-methylpent-2-enenitrile, E-1-(3-methyl-3-hydroxy-1-cyano-1-buten-2-yl)imidazole
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 1.01848 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 337.92697 |
Chemical Identifiers
| CAS Number | 92534-61-7 |
|---|---|
| SMILES | CC(C)(/C(=C\C#N)/N1C=CN=C1)O |
Product Overview
(2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile (CAS 92534-61-7), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: (E)-4-hydroxy-3-imidazol-1-yl-4-methylpent-2-enenitrile.
Chemical Property Profile of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile
Property Insights of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile
The XLogP value of 1.01848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile. Following Lipinski's Rule of Five, (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile 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 (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile?
The CAS number of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile is 92534-61-7.
What is the molecular formula of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile?
The molecular formula of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile is C9H11N3O.
What is the molecular weight of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile?
The molecular weight of (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile is 177.09 g/mol.
Where can I buy (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile?
You can request a quote for (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-hydroxy-3-imidazolyl-4-methylpent-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.