1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid (CAS 869651-71-8) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid
Also Known As: (1,1-Dioxidobenzo[d]isothiazol-3-yl)proline, 1-(1,1-dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid, 1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid, (1,1-Dioxidobenzo[d]isothiazol-3-yl)-DL-proline, 1-(1,1-dioxido-1,2-benzisothiazol-3-yl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C12H12N2O4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 0.6845 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.0518 |
| Heavy Atoms | 19 |
| Complexity | 680.72473 |
Chemical Identifiers
| CAS Number | 869651-71-8 |
|---|---|
| SMILES | C1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)O |
Product Overview
1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid (CAS 869651-71-8), with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol. IUPAC: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.6845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-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 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid is 869651-71-8.
What is the molecular formula of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid is C12H12N2O4S.
What is the molecular weight of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid is 280.05 g/mol.
Where can I buy 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)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-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.