RefChem:1056534
TL;DR: RefChem:1056534 (CAS 112446-54-5) is a chemical compound with molecular formula C28H31Cl3N2O9S and molecular weight 676.0816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((Z)-but-2-enedioic acid);2-[4-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]piperazin-1-yl]ethanol
Also Known As: 4-(1-(5-Chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-piperazineethanol bismaleate, 1-Piperazineethanol, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 2-[4-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]piperazin-1-yl]ethanol
Technical Specifications
| Molecular Formula | C28H31Cl3N2O9S |
| Molecular Weight | 676.0816 g/mol |
| XLogP | 4.8925 |
| Topological Polar Surface Area (TPSA) | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.0816 Da |
| Heavy Atoms | 43 |
| Complexity | 572.0 |
| SMILES | CC(N1CCN(CC1)CCO)C2=C(C=CC(=C2)Cl)SC3=CC(=C(C=C3)Cl)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | GYHSLNRVUNVYSU-SPIKMXEPSA-N |
Chemical Property Profile of RefChem:1056534
Property Insights of RefChem:1056534
The XLogP value of 4.8925 indicates that RefChem:1056534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting RefChem:1056534 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056534 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056534?
The CAS number of RefChem:1056534 is 112446-54-5.
What is the molecular formula of RefChem:1056534?
The molecular formula of RefChem:1056534 is C28H31Cl3N2O9S.
What is the molecular weight of RefChem:1056534?
The molecular weight of RefChem:1056534 is 676.0816 g/mol.
Where can I buy RefChem:1056534?
You can request a quote for RefChem:1056534 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056534?
Yes, CoreyChem provides custom synthesis services for RefChem:1056534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.