ChemDiv1_001426
TL;DR: ChemDiv1_001426 (CAS 299956-06-2) is a chemical compound with molecular formula C20H17BrN2O5S2 and molecular weight 507.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzamide
Also Known As: ChemDiv1_001426, (Z)-4-bromo-N-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)benzamide, 4-bromo-N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzamide, 4-bromo-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C20H17BrN2O5S2 |
|---|---|
| Molecular Weight | 507.98 g/mol |
| LogP | 4.0211 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.97623 |
| Heavy Atoms | 30 |
| Complexity | 1014.9875 |
Chemical Identifiers
| CAS Number | 299956-06-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_001426 (CAS 299956-06-2), with molecular formula C20H17BrN2O5S2 and molecular weight 507.98 g/mol. IUPAC: 4-bromo-N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_001426
Property Insights of ChemDiv1_001426
The XLogP value of 4.0211 indicates that ChemDiv1_001426 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001426. Following Lipinski's Rule of Five, ChemDiv1_001426 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001426?
The CAS number of ChemDiv1_001426 is 299956-06-2.
What is the molecular formula of ChemDiv1_001426?
The molecular formula of ChemDiv1_001426 is C20H17BrN2O5S2.
What is the molecular weight of ChemDiv1_001426?
The molecular weight of ChemDiv1_001426 is 507.98 g/mol.
Where can I buy ChemDiv1_001426?
You can request a quote for ChemDiv1_001426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001426?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.