(1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate
TL;DR: (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate (CAS 1285927-28-7) is a chemical compound with molecular formula C12H21NO4S and molecular weight 275.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate
Also Known As: (Mixture of Diastereomers), DISCONTINUED. UNSTABLE, 1-Acetyl-2,2,5,5-tetramethyl-3-pyrroline-3-methanesulfonylmethanol, (1-acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate, (1-Acetyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl methanesulfonate
Technical Specifications
| Molecular Formula | C12H21NO4S |
| Molecular Weight | 275.11914 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.11914 Da |
| Heavy Atoms | 18 |
| Complexity | 483.0 |
| SMILES | CC(=O)N1C(C=C(C1(C)C)COS(=O)(=O)C)(C)C |
| InChIKey | HKGUPHQKSUFHMO-UHFFFAOYSA-N |
Chemical Property Profile of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate
Property Insights of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate
The XLogP value of -0.1 indicates that (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate. Following Lipinski's Rule of Five, (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate 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
What is the CAS number of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate?
The CAS number of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate is 1285927-28-7.
What is the molecular formula of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate?
The molecular formula of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate is C12H21NO4S.
What is the molecular weight of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate?
The molecular weight of (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate is 275.11914 g/mol.
Where can I buy (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate?
You can request a quote for (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for (1-Acetyl-2,2,5,5-tetramethylpyrrol-3-yl)methyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.