3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid
TL;DR: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid (CAS 331857-99-9) is a chemical compound with molecular formula C11H6N4O4 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxoisoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid
Also Known As: BIM-0017127.P001, 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid, 3-(1,3-dioxoisoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid, 5-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-1H-1,2,4-triazole-3-carboxylic acid, 5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
| Molecular Formula | C11H6N4O4 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 0.3035 |
| Topological Polar Surface Area | 116.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0389 |
| Heavy Atoms | 19 |
| Complexity | 685.9902 |
Chemical Identifiers
| CAS Number | 331857-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NNC(=N3)C(=O)O |
Product Overview
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid (CAS 331857-99-9), with molecular formula C11H6N4O4 and molecular weight 258.04 g/mol. IUPAC: 3-(1,3-dioxoisoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid.
Chemical Property Profile of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid
Property Insights of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid
The XLogP value of 0.3035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid. The TPSA of 116.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid 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 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid?
The CAS number of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid is 331857-99-9.
What is the molecular formula of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid?
The molecular formula of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid is C11H6N4O4.
What is the molecular weight of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid?
The molecular weight of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid is 258.04 g/mol.
Where can I buy 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid?
You can request a quote for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-1,2,4-triazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.