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1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
TL;DR: 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone (CAS 122030-79-9) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
Also Known As: 1-(2-(hydroxymethyl)pyrrolidin-1-yl)-2-(phenylthio)ethanone, 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanyl-ethanone
Technical Specifications
| Molecular Formula | C13H17NO2S |
| Molecular Weight | 251.098 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.098 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | C1C[C@H](N(C1)C(=O)CSC2=CC=CC=C2)CO |
| InChIKey | FZDOKADTCDUWSE-NSHDSACASA-N |
Chemical Property Profile of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
Property Insights of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone. Following Lipinski's Rule of Five, 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone 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
What is the CAS number of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone?
The CAS number of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone is 122030-79-9.
What is the molecular formula of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone?
The molecular formula of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone is C13H17NO2S.
What is the molecular weight of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone?
The molecular weight of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone is 251.098 g/mol.
Where can I buy 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone?
You can request a quote for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone?
Yes, CoreyChem provides custom synthesis services for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.