CDS1_003579
TL;DR: CDS1_003579 (CAS 6187-76-4) is a chemical compound with molecular formula C21H19BrClNO4S2 and molecular weight 526.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: CDS1_003579, BIM-0010908.P001, 5-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxybenzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C21H19BrClNO4S2 |
|---|---|
| Molecular Weight | 526.96 g/mol |
| LogP | 5.79 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.96277 |
| Heavy Atoms | 30 |
| Complexity | 981.7168 |
Chemical Identifiers
| CAS Number | 6187-76-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C)Cl)OCCOC3=CC=C(C=C3)Br |
Product Overview
CDS1_003579 (CAS 6187-76-4), with molecular formula C21H19BrClNO4S2 and molecular weight 526.96 g/mol. IUPAC: (5E)-5-[[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of CDS1_003579
Property Insights of CDS1_003579
The XLogP value of 5.79 indicates that CDS1_003579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, CDS1_003579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_003579 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_003579?
The CAS number of CDS1_003579 is 6187-76-4.
What is the molecular formula of CDS1_003579?
The molecular formula of CDS1_003579 is C21H19BrClNO4S2.
What is the molecular weight of CDS1_003579?
The molecular weight of CDS1_003579 is 526.96 g/mol.
Where can I buy CDS1_003579?
You can request a quote for CDS1_003579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003579?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.