![2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone structure](/static/products/6678/667875-22-1.webp)
2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone (CAS 667875-22-1) is a chemical compound with molecular formula C13H15Cl2NOS and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: AO-081/41755315, 2-[(2,6-dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone, 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone, 2,6-dichlorobenzyl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide, 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone
| Molecular Formula | C13H15Cl2NOS |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.849 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.02515 |
| Heavy Atoms | 18 |
| Complexity | 412.74945 |
Chemical Identifiers
| CAS Number | 667875-22-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSCC2=C(C=CC=C2Cl)Cl |
Product Overview
2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone (CAS 667875-22-1), with molecular formula C13H15Cl2NOS and molecular weight 303.03 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 3.849 indicates that 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone 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-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone 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-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone is 667875-22-1.
What is the molecular formula of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone is C13H15Cl2NOS.
What is the molecular weight of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone is 303.03 g/mol.
Where can I buy 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,6-Dichlorobenzyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.