2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
TL;DR: 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (CAS 403830-99-9) is a chemical compound with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_004469, IDI1_010224, 2-(4-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone, 1-{[(4-chlorophenyl)thio]acetyl}pyrrolidine, 2-((4-chlorophenyl)thio)-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C12H14ClNOS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.0545 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.04846 |
| Heavy Atoms | 16 |
| Complexity | 359.78644 |
Chemical Identifiers
| CAS Number | 403830-99-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (CAS 403830-99-9), with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
Property Insights of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
The XLogP value of 3.0545 indicates that 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone has 0 hydrogen bond donor(s) and 2 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 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The CAS number of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is 403830-99-9.
What is the molecular formula of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is C12H14ClNOS.
What is the molecular weight of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is 255.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.