1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate
TL;DR: 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate (CAS 314034-58-7) is a chemical compound with molecular formula C14H18BrNO2S2 and molecular weight 375.00 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] N,N-diethylcarbamodithioate
Also Known As: 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate, [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate, J2.602.257F, BRD-A72194916-001-04-6, AH-034/11963926
| Molecular Formula | C14H18BrNO2S2 |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 4.0858 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.99622 |
| Heavy Atoms | 20 |
| Complexity | 503.94733 |
Chemical Identifiers
| CAS Number | 314034-58-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(C)C(=O)C1=C(C=CC(=C1)Br)O |
Product Overview
1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate (CAS 314034-58-7), with molecular formula C14H18BrNO2S2 and molecular weight 375.00 g/mol. IUPAC: [1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate
Property Insights of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate
The XLogP value of 4.0858 indicates that 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate 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 diethylcarbamodithioate 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 diethylcarbamodithioate 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 diethylcarbamodithioate?
The CAS number of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate is 314034-58-7.
What is the molecular formula of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate?
The molecular formula of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate is C14H18BrNO2S2.
What is the molecular weight of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate?
The molecular weight of 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate is 375.00 g/mol.
Where can I buy 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate?
You can request a quote for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate 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 diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.