2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate
TL;DR: 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate (CAS 5571-31-3) is a chemical compound with molecular formula C13H13Br2NO2S2 and molecular weight 436.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] pyrrolidine-1-carbodithioate
Also Known As: J1.708.520D, 2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate, 2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl 1-pyrrolidinecarbodithioate, A0897/0042123, [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] pyrrolidine-1-carbodithioate
| Molecular Formula | C13H13Br2NO2S2 |
|---|---|
| Molecular Weight | 436.88 g/mol |
| LogP | 4.2138 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.87546 |
| Heavy Atoms | 20 |
| Complexity | 545.41785 |
Chemical Identifiers
| CAS Number | 5571-31-3 |
|---|---|
| SMILES | C1CCN(C1)C(=S)SCC(=O)C2=C(C(=CC(=C2)Br)Br)O |
Product Overview
2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate (CAS 5571-31-3), with molecular formula C13H13Br2NO2S2 and molecular weight 436.88 g/mol. IUPAC: [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate
Property Insights of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate
The XLogP value of 4.2138 indicates that 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate has 1 hydrogen bond donor(s) and 4 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-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
The CAS number of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is 5571-31-3.
What is the molecular formula of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
The molecular formula of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is C13H13Br2NO2S2.
What is the molecular weight of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
The molecular weight of 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is 436.88 g/mol.
Where can I buy 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
You can request a quote for 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl pyrrolidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.