RefChem:1056535
TL;DR: RefChem:1056535 (CAS 112446-52-3) is a chemical compound with molecular formula C28H33ClN2O9S and molecular weight 608.15955 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-phenylsulfanylphenyl)ethyl]piperazin-1-yl]ethanol
Also Known As: 4-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-1-piperazineethanol (Z)-2-butenedioate (1:2), 1-Piperazineethanol, 4-(1-(5-chloro-2-(phenylthio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2), 1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-(2-hydroxyethyl)piperazine bis(hydrogen maleate), (Z)-but-2-enedioic acid; 2-[4-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]piperazin-1-yl]ethanol
Technical Specifications
| Molecular Formula | C28H33ClN2O9S |
| Molecular Weight | 608.15955 g/mol |
| XLogP | 3.5857 |
| Topological Polar Surface Area (TPSA) | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.15955 Da |
| Heavy Atoms | 41 |
| Complexity | 505.0 |
| SMILES | CC(N1CCN(CC1)CCO)C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | NIXCBRCLNRLBMH-SPIKMXEPSA-N |
Chemical Property Profile of RefChem:1056535
Property Insights of RefChem:1056535
The XLogP value of 3.5857 indicates that RefChem:1056535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting RefChem:1056535 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056535 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:1056535?
The CAS number of RefChem:1056535 is 112446-52-3.
What is the molecular formula of RefChem:1056535?
The molecular formula of RefChem:1056535 is C28H33ClN2O9S.
What is the molecular weight of RefChem:1056535?
The molecular weight of RefChem:1056535 is 608.15955 g/mol.
Where can I buy RefChem:1056535?
You can request a quote for RefChem:1056535 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056535?
Yes, CoreyChem provides custom synthesis services for RefChem:1056535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.