![[(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate structure](/static/products/5169/51693-17-5.webp)
[(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate
TL;DR: [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate (CAS 51693-17-5) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
Also Known As: (S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone p-toluenesulfonate, (S)-(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate, L-Pyroglutamol p-toluenesulfonate, [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate, (-)-L-Pyroglutamol p-toluenesulfonate
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.97892 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 535.70074 |
Chemical Identifiers
| CAS Number | 51693-17-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCC(=O)N2 |
Product Overview
[(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate (CAS 51693-17-5), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate
Property Insights of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate
The XLogP value of 0.97892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, [(2S)-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
Frequently Asked Questions
What is the CAS number of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate?
The CAS number of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate is 51693-17-5.
What is the molecular formula of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate?
The molecular formula of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate is C12H15NO4S.
What is the molecular weight of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate?
The molecular weight of [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate is 269.07 g/mol.
Where can I buy [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate?
You can request a quote for [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.