1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
TL;DR: 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (CAS 227750-61-0) is a chemical compound with molecular formula C12H13NO6S and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-carboxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: ((4-Carboxyphenyl)sulfonyl)proline, N-(p-Carboxyphenylsulfonyl)-prolin, 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid, 1-[(4-carboxyphenyl)sulfonyl]proline, 1-(4-carboxyphenyl)sulfonylpyrrolidine-2-carboxylic Acid
| Molecular Formula | C12H13NO6S |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 0.6225 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.04636 |
| Heavy Atoms | 20 |
| Complexity | 636.4163 |
Chemical Identifiers
| CAS Number | 227750-61-0 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O |
Product Overview
1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (CAS 227750-61-0), with molecular formula C12H13NO6S and molecular weight 299.05 g/mol. IUPAC: 1-(4-carboxyphenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
Property Insights of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
The XLogP value of 0.6225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid has 2 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-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid?
The CAS number of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid is 227750-61-0.
What is the molecular formula of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid is C12H13NO6S.
What is the molecular weight of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid is 299.05 g/mol.
Where can I buy 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(4-Carboxy-benzenesulfonyl)-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-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Carboxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.