1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate
TL;DR: 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate (CAS 900886-68-2) is a chemical compound with molecular formula C15H19BrN2O2S2 and molecular weight 402.01 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] 4-methylpiperazine-1-carbodithioate
Also Known As: 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate, [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] 4-methylpiperazine-1-carbodithioate, 1-(5-bromo-2-hydroxy-phenyl)-2-(4-methylpiperazine-1-carbothioyl)sulfanyl-propan-1-one
| Molecular Formula | C15H19BrN2O2S2 |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 2.9914 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.00714 |
| Heavy Atoms | 22 |
| Complexity | 574.6609 |
Chemical Identifiers
| CAS Number | 900886-68-2 |
|---|---|
| SMILES | CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N2CCN(CC2)C |
Product Overview
1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate (CAS 900886-68-2), with molecular formula C15H19BrN2O2S2 and molecular weight 402.01 g/mol. IUPAC: [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] 4-methylpiperazine-1-carbodithioate.
Chemical Property Profile of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate
Property Insights of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate
The XLogP value of 2.9914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate. With a topological polar surface area (TPSA) of 43.78 Ų, 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate has 1 hydrogen bond donor(s) and 5 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 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate?
The CAS number of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate is 900886-68-2.
What is the molecular formula of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate?
The molecular formula of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate is C15H19BrN2O2S2.
What is the molecular weight of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate?
The molecular weight of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate is 402.01 g/mol.
Where can I buy 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate?
You can request a quote for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl 4-methylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.