2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid
TL;DR: 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid (CAS 5357-98-2) is a chemical compound with molecular formula C11H12ClNO4S and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-pyrrolidin-1-ylsulfonylbenzoic acid
Also Known As: 2-chloro-5-(pyrrolidin-1-ylsulfonyl)benzoic acid, 2-chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid, 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoic acid, BAS 07021668, 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid
| Molecular Formula | C11H12ClNO4S |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 1.8227 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.01755 |
| Heavy Atoms | 18 |
| Complexity | 578.70605 |
Chemical Identifiers
| CAS Number | 5357-98-2 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid (CAS 5357-98-2), with molecular formula C11H12ClNO4S and molecular weight 289.02 g/mol. IUPAC: 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoic acid.
Chemical Property Profile of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid
Property Insights of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid
The XLogP value of 1.8227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid?
The CAS number of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid is 5357-98-2.
What is the molecular formula of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid?
The molecular formula of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid is C11H12ClNO4S.
What is the molecular weight of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid?
The molecular weight of 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid is 289.02 g/mol.
Where can I buy 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid?
You can request a quote for 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(pyrrolidine-1-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.