2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate
TL;DR: 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate (CAS 401823-23-2) is a chemical compound with molecular formula C14H16BrNO2S2 and molecular weight 372.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
Also Known As: AT-057/43468524, 2-(5-bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate, [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate, 1-(5-bromo-2-hydroxyphenyl)-2-(pyrrolidinylthioxomethylthio)propan-1-one, 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl pyrrolidine-1-carbodithioate
| Molecular Formula | C14H16BrNO2S2 |
|---|---|
| Molecular Weight | 372.98 g/mol |
| LogP | 3.8398 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.9806 |
| Heavy Atoms | 20 |
| Complexity | 529.9052 |
Chemical Identifiers
| CAS Number | 401823-23-2 |
|---|---|
| SMILES | CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N2CCCC2 |
Product Overview
2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate (CAS 401823-23-2), with molecular formula C14H16BrNO2S2 and molecular weight 372.98 g/mol. IUPAC: [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate
Property Insights of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate
The XLogP value of 3.8398 indicates that 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate 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-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate 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-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate?
The CAS number of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate is 401823-23-2.
What is the molecular formula of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate?
The molecular formula of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate is C14H16BrNO2S2.
What is the molecular weight of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate?
The molecular weight of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate is 372.98 g/mol.
Where can I buy 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate?
You can request a quote for 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-pyrrolidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.