RefChem:1096054
TL;DR: RefChem:1096054 (CAS 112462-69-8) is a chemical compound with molecular formula C27H29Cl3N2O8S and molecular weight 646.07104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);1-[1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]ethyl]-4-methylpiperazine
Also Known As: 4-(1-(5-Chloro-2-((2,5-dichlorophenyl)thio)phenyl)ethyl)-1-methylpiperazine bismaleate, Piperazine, 4-(1-(5-chloro-2-((2,5-dichlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-[1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]ethyl]-4-methylpiperazine
Technical Specifications
| Molecular Formula | C27H29Cl3N2O8S |
| Molecular Weight | 646.07104 g/mol |
| XLogP | 5.53 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 646.07104 Da |
| Heavy Atoms | 41 |
| Complexity | 538.0 |
| SMILES | CC(N1CCN(CC1)C)C2=C(C=CC(=C2)Cl)SC3=C(C=CC(=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | YPWRCJZWNILQET-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1096054
Property Insights of RefChem:1096054
The XLogP value of 5.53 indicates that RefChem:1096054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting RefChem:1096054 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096054 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1096054?
The CAS number of RefChem:1096054 is 112462-69-8.
What is the molecular formula of RefChem:1096054?
The molecular formula of RefChem:1096054 is C27H29Cl3N2O8S.
What is the molecular weight of RefChem:1096054?
The molecular weight of RefChem:1096054 is 646.07104 g/mol.
Where can I buy RefChem:1096054?
You can request a quote for RefChem:1096054 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096054?
Yes, CoreyChem provides custom synthesis services for RefChem:1096054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.