![1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine structure](/static/products/6944/694488-93-2.webp)
1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine
TL;DR: 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine (CAS 694488-93-2) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-1-pyrrolidin-1-ylethanone
Also Known As: 1-{[(4-methylphenyl)sulfonyl]acetyl}pyrrolidine, 1-{[(4-Methylphenyl)sulfonyl]acetyl}, SDCCGMLS-0057475.P002, BAS 06982791, 2-(4-methylphenyl)sulfonyl-1-pyrrolidin-1-ylethanone
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.39112 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 527.85974 |
Chemical Identifiers
| CAS Number | 694488-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCC2 |
Product Overview
1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine (CAS 694488-93-2), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine
Property Insights of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine
The XLogP value of 1.39112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine. With a topological polar surface area (TPSA) of 54.45 Ų, 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine has 0 hydrogen bond donor(s) and 3 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)sulfonyl]acetyl}pyrrolidine?
The CAS number of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine is 694488-93-2.
What is the molecular formula of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine?
The molecular formula of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine is C13H17NO3S.
What is the molecular weight of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine?
The molecular weight of 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine is 267.09 g/mol.
Where can I buy 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine?
You can request a quote for 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine 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)sulfonyl]acetyl}pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.