ChemDiv1_001171
TL;DR: ChemDiv1_001171 (CAS 301305-20-4) is a chemical compound with molecular formula C19H13Cl2N3O5S2 and molecular weight 496.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
Also Known As: ChemDiv1_001171, 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide, F0393-0542, (Z)-3-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-hydroxy-5-nitrophenyl)propanamide, 3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
| Molecular Formula | C19H13Cl2N3O5S2 |
|---|---|
| Molecular Weight | 496.97 g/mol |
| LogP | 4.8372 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.96738 |
| Heavy Atoms | 31 |
| Complexity | 1139.5215 |
Chemical Identifiers
| CAS Number | 301305-20-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=S)O |
Product Overview
ChemDiv1_001171 (CAS 301305-20-4), with molecular formula C19H13Cl2N3O5S2 and molecular weight 496.97 g/mol. IUPAC: 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide.
Chemical Property Profile of ChemDiv1_001171
Property Insights of ChemDiv1_001171
The XLogP value of 4.8372 indicates that ChemDiv1_001171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001171. Following Lipinski's Rule of Five, ChemDiv1_001171 has 2 hydrogen bond donor(s) and 7 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_001171?
The CAS number of ChemDiv1_001171 is 301305-20-4.
What is the molecular formula of ChemDiv1_001171?
The molecular formula of ChemDiv1_001171 is C19H13Cl2N3O5S2.
What is the molecular weight of ChemDiv1_001171?
The molecular weight of ChemDiv1_001171 is 496.97 g/mol.
Where can I buy ChemDiv1_001171?
You can request a quote for ChemDiv1_001171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001171?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.