1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid (CAS 329271-68-3) is a chemical compound with molecular formula C11H11N3O4S2 and molecular weight 313.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid
Also Known As: ChemDiv1_000197, 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid, BAS 00327274, 1-(Benzo[1,2,5]thiadiazole-4-sulfonyl)-pyrrolidine-2-carboxylic acid, 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)proline
| Molecular Formula | C11H11N3O4S2 |
|---|---|
| Molecular Weight | 313.02 g/mol |
| LogP | 0.929 |
| Topological Polar Surface Area | 100.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0191 |
| Heavy Atoms | 20 |
| Complexity | 770.82117 |
Chemical Identifiers
| CAS Number | 329271-68-3 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)O |
Product Overview
1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid (CAS 329271-68-3), with molecular formula C11H11N3O4S2 and molecular weight 313.02 g/mol. IUPAC: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 100.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-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 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid is 329271-68-3.
What is the molecular formula of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid is C11H11N3O4S2.
What is the molecular weight of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid is 313.02 g/mol.
Where can I buy 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.