![[2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate structure](/static/products/3318/331869-69-3.webp)
[2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate
TL;DR: [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate (CAS 331869-69-3) is a chemical compound with molecular formula C15H17Br2NO2S2 and molecular weight 464.91 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] 3-methylpiperidine-1-carbodithioate
Also Known As: BAS 00655073, [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate, 2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl 3-methylpiperidine-1-carbodithioate, 1-(3,5-dibromo-2-hydroxyphenyl)-2-[(3-methylpiperidyl)thioxomethylthio]ethan-1 -one, 3-methyl-1-piperidinecarbodithioic acid [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] ester
| Molecular Formula | C15H17Br2NO2S2 |
|---|---|
| Molecular Weight | 464.91 g/mol |
| LogP | 4.8499 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.90674 |
| Heavy Atoms | 22 |
| Complexity | 595.1503 |
Chemical Identifiers
| CAS Number | 331869-69-3 |
|---|---|
| SMILES | CC1CCCN(C1)C(=S)SCC(=O)C2=C(C(=CC(=C2)Br)Br)O |
Product Overview
[2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate (CAS 331869-69-3), with molecular formula C15H17Br2NO2S2 and molecular weight 464.91 g/mol. IUPAC: [2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate.
Chemical Property Profile of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate
Property Insights of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate
The XLogP value of 4.8499 indicates that [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-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] 3-methylpiperidine-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] 3-methylpiperidine-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] 3-methylpiperidine-1-carbodithioate?
The CAS number of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate is 331869-69-3.
What is the molecular formula of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate?
The molecular formula of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate is C15H17Br2NO2S2.
What is the molecular weight of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate?
The molecular weight of [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate is 464.91 g/mol.
Where can I buy [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate?
You can request a quote for [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-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] 3-methylpiperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3,5-Dibromo-2-hydroxyphenyl)-2-oxoethyl] 3-methylpiperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.