4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide
TL;DR: 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide (CAS 1212238-27-1) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
Also Known As: 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide, 4-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
Technical Specifications
| Molecular Formula | C21H22N4O4 |
| Molecular Weight | 394.1641 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1641 Da |
| Heavy Atoms | 29 |
| Complexity | 635.0 |
| SMILES | C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NCC3=NC(=NO3)C4=CC=CC=C4 |
| InChIKey | XHOKPZUQGJFSKX-IYBDPMFKSA-N |
Chemical Property Profile of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide
Property Insights of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide. Following Lipinski's Rule of Five, 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide?
The CAS number of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide is 1212238-27-1.
What is the molecular formula of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide?
The molecular formula of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide is C21H22N4O4.
What is the molecular weight of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide?
The molecular weight of 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide is 394.1641 g/mol.
Where can I buy 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide?
You can request a quote for 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide?
Yes, CoreyChem provides custom synthesis services for 4-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.