6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate
TL;DR: 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate (CAS 214959-32-7) is a chemical compound with molecular formula C20H19Br2NO2S2 and molecular weight 526.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,8-dibromo-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl) N,N-diethylcarbamodithioate
Also Known As: J1.708.526C, 6,8-dibromo-4-oxo-2-phenylchroman-3-yl diethylcarbamodithioate, 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate, A1776/0075301, (6,8-dibromo-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl) N,N-diethylcarbamodithioate
| Molecular Formula | C20H19Br2NO2S2 |
|---|---|
| Molecular Weight | 526.92 g/mol |
| LogP | 6.2565 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.9224 |
| Heavy Atoms | 27 |
| Complexity | 856.56024 |
Chemical Identifiers
| CAS Number | 214959-32-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1C(OC2=C(C1=O)C=C(C=C2Br)Br)C3=CC=CC=C3 |
Product Overview
6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate (CAS 214959-32-7), with molecular formula C20H19Br2NO2S2 and molecular weight 526.92 g/mol. IUPAC: (6,8-dibromo-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl) N,N-diethylcarbamodithioate.
Chemical Property Profile of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate
Property Insights of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate
The XLogP value of 6.2565 indicates that 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate?
The CAS number of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate is 214959-32-7.
What is the molecular formula of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate?
The molecular formula of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate is C20H19Br2NO2S2.
What is the molecular weight of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate?
The molecular weight of 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate is 526.92 g/mol.
Where can I buy 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate?
You can request a quote for 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dibromo-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.