(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol

Base Information

• Chemical Name: (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol
• CAS No.: 201038-74-6
• Molecular Formula: C18H29ClN2O3S
• Molecular Weight: 388.9525
• UNII: KC8KP5XU6F
• DSSTox Substance ID: DTXSID90942127
• Nikkaji Number: J1.270.089J
• Wikipedia: SB-269970
• Wikidata: Q1427742
• Pharos Ligand ID: YBAQJ18AUZPX
• Metabolomics Workbench ID: 154714
• ChEMBL ID: CHEMBL282199
• Mol file: 201038-74-6.mol

Synonyms:3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol;SB 269970;SB-269970

Chemical Property of (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol

Chemical Property:

• Vapor Pressure: 3.87E-11mmHg at 25°C
• Boiling Point: 512.9°Cat760mmHg
• PKA: 8.88±0.10(Predicted)
• Flash Point: 264°C
• PSA: 69.23000
• Density: g/cm³
• LogP: 4.42590
• Storage Temp.: 2-8°C
• Solubility.: H2O: 22 mg/mL
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 352.18206393
• Heavy Atom Count: 24
• Complexity: 497

Purity/Quality:

99%+, ^*data from raw suppliers

SB269970 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCN(CC1)CCC2CCCN2S(=O)(=O)C3=CC=CC(=C3)O
• Isomeric SMILES: CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)O
• Uses: SB 269970 is a selective and potent SR-7 antagonist.