![[1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate structure](/static/products/956/956187-93-2.png)
[1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate
TL;DR: [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate (CAS 956187-93-2) is a chemical compound with molecular formula C12H17NO5S2 and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate
Also Known As: (3R)-1-[(4-methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl methanesulfonate, [1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate, [(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate
| Molecular Formula | C12H17NO5S2 |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 0.73422 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0548 |
| Heavy Atoms | 20 |
| Complexity | 679.0628 |
Chemical Identifiers
| CAS Number | 956187-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)OS(=O)(=O)C |
Product Overview
[1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate (CAS 956187-93-2), with molecular formula C12H17NO5S2 and molecular weight 319.05 g/mol. IUPAC: [1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate.
Chemical Property Profile of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate
Property Insights of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate
The XLogP value of 0.73422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate. Following Lipinski's Rule of Five, [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate has 0 hydrogen bond donor(s) and 5 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-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate?
The CAS number of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate is 956187-93-2.
What is the molecular formula of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate?
The molecular formula of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate is C12H17NO5S2.
What is the molecular weight of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate?
The molecular weight of [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate is 319.05 g/mol.
Where can I buy [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate?
You can request a quote for [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Methylphenyl)sulfonylpyrrolidin-3-yl] methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.