RefChem:1095863
TL;DR: RefChem:1095863 (CAS 104183-45-1) is a chemical compound with molecular formula C28H26N4O2S2 and molecular weight 514.1497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-benzylidene-3-[[4-(4-phenylpiperazine-1-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-Benzylidene-3-(p-(4-phenylpiperazin-1-ylcarbonyl)anilinomethyl)-4-oxothiazolidine-2-thione, Piperazine, 1-(4-(((4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)methyl)amino)benzoyl)-4-phenyl-, (5E)-5-benzylidene-3-[[4-(4-phenylpiperazine-1-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, BRN 5671080
Technical Specifications
| Molecular Formula | C28H26N4O2S2 |
| Molecular Weight | 514.1497 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.1497 Da |
| Heavy Atoms | 36 |
| Complexity | 821.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NCN4C(=O)/C(=C\C5=CC=CC=C5)/SC4=S |
| InChIKey | WCTAMSLDWAJWCW-NCELDCMTSA-N |
Chemical Property Profile of RefChem:1095863
Property Insights of RefChem:1095863
The XLogP value of 5.8 indicates that RefChem:1095863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095863. Following Lipinski's Rule of Five, RefChem:1095863 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1095863?
The CAS number of RefChem:1095863 is 104183-45-1.
What is the molecular formula of RefChem:1095863?
The molecular formula of RefChem:1095863 is C28H26N4O2S2.
What is the molecular weight of RefChem:1095863?
The molecular weight of RefChem:1095863 is 514.1497 g/mol.
Where can I buy RefChem:1095863?
You can request a quote for RefChem:1095863 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1095863?
Yes, CoreyChem provides custom synthesis services for RefChem:1095863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.