ChemDiv1_004402
TL;DR: ChemDiv1_004402 (CAS 292169-97-2) is a chemical compound with molecular formula C19H15BrN2O4S2 and molecular weight 477.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: ChemDiv1_004402, (Z)-4-bromo-N-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, AE-641/11948097, 4-bromo-N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, F0393-0431
| Molecular Formula | C19H15BrN2O4S2 |
|---|---|
| Molecular Weight | 477.97 g/mol |
| LogP | 4.0996 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.96567 |
| Heavy Atoms | 28 |
| Complexity | 976.399 |
Chemical Identifiers
| CAS Number | 292169-97-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)Br)O |
Product Overview
ChemDiv1_004402 (CAS 292169-97-2), with molecular formula C19H15BrN2O4S2 and molecular weight 477.97 g/mol. IUPAC: 4-bromo-N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_004402
Property Insights of ChemDiv1_004402
The XLogP value of 4.0996 indicates that ChemDiv1_004402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004402. Following Lipinski's Rule of Five, ChemDiv1_004402 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_004402?
The CAS number of ChemDiv1_004402 is 292169-97-2.
What is the molecular formula of ChemDiv1_004402?
The molecular formula of ChemDiv1_004402 is C19H15BrN2O4S2.
What is the molecular weight of ChemDiv1_004402?
The molecular weight of ChemDiv1_004402 is 477.97 g/mol.
Where can I buy ChemDiv1_004402?
You can request a quote for ChemDiv1_004402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004402?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.