2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid
TL;DR: 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid (CAS 721406-67-3) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
Also Known As: 2-(2-Oxo-2-pyrrolidin-1-yl-ethylsulfanyl)-benzoic acid, 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)thio)benzoic acid, 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}benzoic acid, 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid, 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)thio)benzoicacid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 2.0993 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 455.3045 |
Chemical Identifiers
| CAS Number | 721406-67-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid (CAS 721406-67-3), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid.
Chemical Property Profile of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid
Property Insights of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid
The XLogP value of 2.0993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)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-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid?
The CAS number of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid is 721406-67-3.
What is the molecular formula of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid?
The molecular formula of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid is C13H15NO3S.
What is the molecular weight of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid?
The molecular weight of 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid is 265.08 g/mol.
Where can I buy 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid?
You can request a quote for 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)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-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.