2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 95074-14-9) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 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-ylmethyl)isoindole-1,3-dione
Also Known As: 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione, 2-(1H-1,2,4-triazol-5-ylmethyl)isoindole-1,3-dione, 2-((1H-1,2,4-Triazol-5-yl)methyl)isoindoline-1,3-dione, 2-(2H-[1,2,4]Triazol-3-ylmethyl)-isoindole-1,3-dione, 2-[(4H-1,2,4-Triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 95074-14-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC=NN3 |
| InChIKey | VOVUIRVWNBHONK-UHFFFAOYSA-N |
Product Overview
2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione (CAS 95074-14-9), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylmethyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-Triazol-5-ylmethyl)-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-5-ylmethyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(1H-1,2,4-Triazol-5-ylmethyl)-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-5-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione is 95074-14-9.
What is the molecular formula of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione is C11H8N4O2.
What is the molecular weight of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione is 228.06 g/mol.
Where can I buy 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(1H-1,2,4-Triazol-5-ylmethyl)-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-5-ylmethyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-Triazol-5-ylmethyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.