2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide
TL;DR: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide (CAS 302805-25-0) is a chemical compound with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide
Also Known As: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide, 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide, 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-N-(4H-1,2,4-triazol-3-yl)butanamide, N-(4H-1,2,4-triazol-3-yl)-2-(1,3-dioxobenzo[c]azolin-2-yl)-3-methylbutanamide
| Molecular Formula | C15H15N5O3 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1175 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 302805-25-0 |
|---|---|
| SMILES | CC(C)C(C(=O)NC1=NC=NN1)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | XHZUPKPGIXKPCF-UHFFFAOYSA-N |
Product Overview
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide (CAS 302805-25-0), with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide.
Chemical Property Profile of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide
Property Insights of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide 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
Frequently Asked Questions
What is the CAS number of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide?
The CAS number of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide is 302805-25-0.
What is the molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide?
The molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide is C15H15N5O3.
What is the molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide?
The molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide is 313.12 g/mol.
Where can I buy 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide?
You can request a quote for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-(1H-1,2,4-triazol-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.