(Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide
TL;DR: (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide (CAS 126681-79-6) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-N-(1-adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide
Also Known As: NCI60_020639, 2-Hydroxy-4-(4-methylphenyl)-4-oxo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-2-butenamide, (Z)-N-(1-adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide, 2-Butenamide, 2-hydroxy-4-(4-methylphenyl)-4-oxo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, (Z)-N-(1-adamantyl)-2-hydroxy-4-oxo-4-(p-tolyl)but-2-enamide
Technical Specifications
| Molecular Formula | C21H25NO3 |
| Molecular Weight | 339.18344 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18344 Da |
| Heavy Atoms | 25 |
| Complexity | 545.0 |
| SMILES | CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)/O |
| InChIKey | RLGOWIDYKKKRCH-NVMNQCDNSA-N |
Chemical Property Profile of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide
Property Insights of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide
The XLogP value of 4.5 indicates that (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide. Following Lipinski's Rule of Five, (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide?
The CAS number of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide is 126681-79-6.
What is the molecular formula of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide?
The molecular formula of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide is C21H25NO3.
What is the molecular weight of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide?
The molecular weight of (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide is 339.18344 g/mol.
Where can I buy (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide?
You can request a quote for (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide?
Yes, CoreyChem provides custom synthesis services for (Z)-N-(1-Adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.