1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate
TL;DR: 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate (CAS 314034-60-1) is a chemical compound with molecular formula C12H14BrNO2S2 and molecular weight 346.96 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] N,N-dimethylcarbamodithioate
Also Known As: 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate, [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate, Dimethyl-dithiocarbamic acid 2-(5-bromo-2-hydroxy-phenyl)-1-methyl-2-oxo-ethyl ester
| Molecular Formula | C12H14BrNO2S2 |
|---|---|
| Molecular Weight | 346.96 g/mol |
| LogP | 3.3056 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.96494 |
| Heavy Atoms | 18 |
| Complexity | 477.14526 |
Chemical Identifiers
| CAS Number | 314034-60-1 |
|---|---|
| SMILES | CC(C(=O)C1=C(C=CC(=C1)Br)O)SC(=S)N(C)C |
Product Overview
1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate (CAS 314034-60-1), with molecular formula C12H14BrNO2S2 and molecular weight 346.96 g/mol. IUPAC: [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate.
Chemical Property Profile of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate
Property Insights of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate
The XLogP value of 3.3056 indicates that 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate 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 dimethylcarbamodithioate 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 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate?
The CAS number of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate is 314034-60-1.
What is the molecular formula of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate?
The molecular formula of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate is C12H14BrNO2S2.
What is the molecular weight of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate?
The molecular weight of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate is 346.96 g/mol.
Where can I buy 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate?
You can request a quote for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate 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 dimethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl dimethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.