2,1,3-Benzoselenadiazole-5-carboxylic acid
TL;DR: 2,1,3-Benzoselenadiazole-5-carboxylic acid (CAS 140669-75-6) is a chemical compound with molecular formula C7H4N2O2Se and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzoselenadiazole-5-carboxylic acid
Also Known As: 2,1,3-Benzoselenadiazole-5-carboxylic acid, Benzo[1,2,5]selenadiazole-5-carboxylic acid, benzo[c]1,2,5-selenadiazole-5-carboxylic acid, A2406/0101926
| Molecular Formula | C7H4N2O2Se |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 0.385 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.9438 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 140669-75-6 |
|---|---|
| SMILES | C1=CC2=N[Se]N=C2C=C1C(=O)O |
| InChIKey | JCHHIOHRMVWFIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1,3-Benzoselenadiazole-5-carboxylic acid (CAS 140669-75-6), with molecular formula C7H4N2O2Se and molecular weight 227.94 g/mol. IUPAC: 2,1,3-benzoselenadiazole-5-carboxylic acid.
Chemical Property Profile of 2,1,3-Benzoselenadiazole-5-carboxylic acid
Property Insights of 2,1,3-Benzoselenadiazole-5-carboxylic acid
The XLogP value of 0.385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoselenadiazole-5-carboxylic acid. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzoselenadiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2,1,3-Benzoselenadiazole-5-carboxylic acid 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 2,1,3-Benzoselenadiazole-5-carboxylic acid?
The CAS number of 2,1,3-Benzoselenadiazole-5-carboxylic acid is 140669-75-6.
What is the molecular formula of 2,1,3-Benzoselenadiazole-5-carboxylic acid?
The molecular formula of 2,1,3-Benzoselenadiazole-5-carboxylic acid is C7H4N2O2Se.
What is the molecular weight of 2,1,3-Benzoselenadiazole-5-carboxylic acid?
The molecular weight of 2,1,3-Benzoselenadiazole-5-carboxylic acid is 227.94 g/mol.
Where can I buy 2,1,3-Benzoselenadiazole-5-carboxylic acid?
You can request a quote for 2,1,3-Benzoselenadiazole-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 2,1,3-Benzoselenadiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoselenadiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.