2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate
TL;DR: 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate (CAS 896593-47-8) is a chemical compound with molecular formula C15H18BrNO2S2 and molecular weight 387.00 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] piperidine-1-carbodithioate
Also Known As: 2-(5-bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate, AT-057/43468523, [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] piperidine-1-carbodithioate, 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl piperidine-1-carbodithioate, Piperidine-1-carbodithioic acid 2-(5-bromo-2-hydroxy-phenyl)-1-methyl-2-oxo-ethyl ester
| Molecular Formula | C15H18BrNO2S2 |
|---|---|
| Molecular Weight | 387.00 g/mol |
| LogP | 4.2299 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.99622 |
| Heavy Atoms | 21 |
| Complexity | 544.4752 |
Chemical Identifiers
| CAS Number | 896593-47-8 |
|---|---|
| SMILES | CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N2CCCCC2 |
Product Overview
2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate (CAS 896593-47-8), with molecular formula C15H18BrNO2S2 and molecular weight 387.00 g/mol. IUPAC: [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] piperidine-1-carbodithioate.
Chemical Property Profile of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate
Property Insights of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate
The XLogP value of 4.2299 indicates that 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate 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-piperidinecarbodithioate 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-piperidinecarbodithioate 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-piperidinecarbodithioate?
The CAS number of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate is 896593-47-8.
What is the molecular formula of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate?
The molecular formula of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate is C15H18BrNO2S2.
What is the molecular weight of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate?
The molecular weight of 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate is 387.00 g/mol.
Where can I buy 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate?
You can request a quote for 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate 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-piperidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Bromo-2-hydroxyphenyl)-1-methyl-2-oxoethyl 1-piperidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.