![1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone structure](/static/products/128/1286972-50-6.png)
1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone
TL;DR: 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone (CAS 1286972-50-6) is a chemical compound with molecular formula C12H21NO3S2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone
Also Known As: (Mixture of Diastereomers), 3'-Hydroxy Repaglinide Ethyl Ester, 1-[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone, 1-Acetyl-2,2,5,5-tetramethyl-?3-pyrroline-3-methyl Methanethiosulfonate, J2.751.651C
| Molecular Formula | C12H21NO3S2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.0249 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.09628 |
| Heavy Atoms | 18 |
| Complexity | 489.4519 |
Chemical Identifiers
| CAS Number | 1286972-50-6 |
|---|---|
| SMILES | CC(=O)N1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C |
Product Overview
1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone (CAS 1286972-50-6), with molecular formula C12H21NO3S2 and molecular weight 291.10 g/mol. IUPAC: 1-[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone.
Chemical Property Profile of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone
Property Insights of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone
The XLogP value of 2.0249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone. With a topological polar surface area (TPSA) of 54.45 Ų, 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone has 0 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-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone?
The CAS number of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone is 1286972-50-6.
What is the molecular formula of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone?
The molecular formula of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone is C12H21NO3S2.
What is the molecular weight of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone?
The molecular weight of 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone is 291.10 g/mol.
Where can I buy 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone?
You can request a quote for 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,2,5,5-Tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.