RefChem:1095694
TL;DR: RefChem:1095694 (CAS 112446-56-7) is a chemical compound with molecular formula C29H33Cl3N2O9S and molecular weight 690.0972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((Z)-but-2-enedioic acid);1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(2-methoxyethyl)piperazine
Also Known As: Piperazine, 1-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-4-(2-methoxyethyl)-, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-(2-methoxyethyl)piperazine
Technical Specifications
| Molecular Formula | C29H33Cl3N2O9S |
| Molecular Weight | 690.0972 g/mol |
| XLogP | 5.5466 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 690.0972 Da |
| Heavy Atoms | 44 |
| Complexity | 586.0 |
| SMILES | CC(N1CCN(CC1)CCOC)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 | PHFZZQQHRVWYHL-SPIKMXEPSA-N |
Chemical Property Profile of RefChem:1095694
Property Insights of RefChem:1095694
The XLogP value of 5.5466 indicates that RefChem:1095694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting RefChem:1095694 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095694 has 4 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:1095694?
The CAS number of RefChem:1095694 is 112446-56-7.
What is the molecular formula of RefChem:1095694?
The molecular formula of RefChem:1095694 is C29H33Cl3N2O9S.
What is the molecular weight of RefChem:1095694?
The molecular weight of RefChem:1095694 is 690.0972 g/mol.
Where can I buy RefChem:1095694?
You can request a quote for RefChem:1095694 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1095694?
Yes, CoreyChem provides custom synthesis services for RefChem:1095694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.