(5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate
TL;DR: (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate (CAS 128899-31-0) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
Also Known As: (5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate, (5-Oxopyrrolidin-2-yl)methyl Tosylate, (5-oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate, (+)-D-PYROGLUTAMOL P-TOLUENESULFONATE, 2-Pyrrolidinone, 5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.07217 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07217 Da |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)N2 |
| InChIKey | AMZNHHZJURKRFX-UHFFFAOYSA-N |
Chemical Property Profile of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate
Property Insights of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate has 1 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 (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate?
The CAS number of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate is 128899-31-0.
What is the molecular formula of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate?
The molecular formula of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate is C12H15NO4S.
What is the molecular weight of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate?
The molecular weight of (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate is 269.07217 g/mol.
Where can I buy (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate?
You can request a quote for (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate?
Yes, CoreyChem provides custom synthesis services for (5-Oxopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.