(E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde
TL;DR: (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde (CAS 166768-86-1) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-[2-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde
Also Known As: (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde, 4-[(E)-[2-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)cyclohexylidene]methyl]benzaldehyde
Technical Specifications
| Molecular Formula | C18H21N3O2 |
| Molecular Weight | 311.1634 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1634 Da |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
| SMILES | CC1CCC/C(=C\C2=CC=C(C=C2)C=O)/C1(CN3C=NC=N3)O |
| InChIKey | MEANSQQGJBBDKN-RQZCQDPDSA-N |
Chemical Property Profile of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde
Property Insights of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde. Following Lipinski's Rule of Five, (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde?
The CAS number of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde is 166768-86-1.
What is the molecular formula of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde?
The molecular formula of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde is C18H21N3O2.
What is the molecular weight of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde?
The molecular weight of (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde is 311.1634 g/mol.
Where can I buy (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde?
You can request a quote for (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde?
Yes, CoreyChem provides custom synthesis services for (E)-4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-hydroxy-3-methylcyclohexylidene)methyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.