2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 384795-95-3) is a chemical compound with molecular formula C12H7N3O4S and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, CHEMBRDG-BB 6094050, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxylic acid, W-8959, 9H-Benz
| Molecular Formula | C12H7N3O4S |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 1.34532 |
| Topological Polar Surface Area | 100.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.01572 |
| Heavy Atoms | 20 |
| Complexity | 767.813 |
Chemical Identifiers
| CAS Number | 384795-95-3 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 384795-95-3), with molecular formula C12H7N3O4S and molecular weight 289.02 g/mol. IUPAC: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 1.34532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 100.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid is 384795-95-3.
What is the molecular formula of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid is C12H7N3O4S.
What is the molecular weight of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid is 289.02 g/mol.
Where can I buy 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-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 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-1,3,4-thiadiazol-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.