![2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone structure](/static/products/7109/710972-55-7.webp)
2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
TL;DR: 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone (CAS 710972-55-7) is a chemical compound with molecular formula C13H16BrNOS and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 1-{[(4-Bromobenzyl)thio]acetyl}, 1-{[(4-bromobenzyl)thio]acetyl}pyrrolidine, 4-bromobenzyl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide, 2-[(4-bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone, AO-081/42857832
| Molecular Formula | C13H16BrNOS |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 3.3047 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0136 |
| Heavy Atoms | 17 |
| Complexity | 373.51077 |
Chemical Identifiers
| CAS Number | 710972-55-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSCC2=CC=C(C=C2)Br |
Product Overview
2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone (CAS 710972-55-7), with molecular formula C13H16BrNOS and molecular weight 313.01 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
Property Insights of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
The XLogP value of 3.3047 indicates that 2-[(4-Bromophenyl)methylsulfanyl]-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-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Bromophenyl)methylsulfanyl]-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-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone?
The CAS number of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone is 710972-55-7.
What is the molecular formula of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone is C13H16BrNOS.
What is the molecular weight of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone is 313.01 g/mol.
Where can I buy 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-[(4-Bromophenyl)methylsulfanyl]-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-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.