1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 67320-37-0) is a chemical compound with molecular formula C11H12N2O6S and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 1-[(3-nitrophenyl)sulfonyl]proline, Proline, 1-[(3-nitrophenyl)sulfonyl]-, ZERO/006260, 1-(3-Nitrophenyl)sulfonylproline, 1-(3-nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C11H12N2O6S |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 0.8325 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0416 |
| Heavy Atoms | 20 |
| Complexity | 656.63214 |
Chemical Identifiers
| CAS Number | 67320-37-0 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)O |
Product Overview
1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 67320-37-0), with molecular formula C11H12N2O6S and molecular weight 300.04 g/mol. IUPAC: 1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 0.8325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid has 1 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 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid is 67320-37-0.
What is the molecular formula of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid is C11H12N2O6S.
What is the molecular weight of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid is 300.04 g/mol.
Where can I buy 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(3-Nitrobenzenesulfonyl)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-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrobenzenesulfonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.