2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione (CAS 6609-57-0) is a chemical compound with molecular formula C10H6N4O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione
Also Known As: 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione, DivK1c_004969, 2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione, 3-phthalimido-1,2,4-triazole, CDS1_003929
| Molecular Formula | C10H6N4O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.04907 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 6609-57-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=NN3 |
| InChIKey | HRTUZSIPQLUAJL-UHFFFAOYSA-N |
Product Overview
2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione (CAS 6609-57-0), with molecular formula C10H6N4O2 and molecular weight 214.05 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione 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
Frequently Asked Questions
What is the CAS number of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione is 6609-57-0.
What is the molecular formula of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione is C10H6N4O2.
What is the molecular weight of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione is 214.05 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-3-yl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.