2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
TL;DR: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide (CAS 306752-83-0) is a chemical compound with molecular formula C12H15N5O3 and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
Also Known As: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide, 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide, 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
| Molecular Formula | C12H15N5O3 |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | -0.4766 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1175 |
| Heavy Atoms | 20 |
| Complexity | 517.2975 |
Chemical Identifiers
| CAS Number | 306752-83-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NN3C=NN=C3 |
Product Overview
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide (CAS 306752-83-0), with molecular formula C12H15N5O3 and molecular weight 277.12 g/mol. IUPAC: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
Property Insights of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
The XLogP value of -0.4766 indicates that 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide has 1 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-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
The CAS number of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide is 306752-83-0.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
The molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide is C12H15N5O3.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
The molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide is 277.12 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
You can request a quote for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide 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-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.