RefChem:1056535
TL;DR: RefChem:1056535 (CAS 112446-52-3) is a chemical compound with molecular formula C28H33ClN2O9S and molecular weight 608.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:1056535
| Molecular Formula | C28H33ClN2O9S |
|---|---|
| Molecular Weight | 608.16 g/mol |
| LogP | 3.5857 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.15955 |
| Heavy Atoms | 41 |
| Complexity | 1134.3038 |
Chemical Identifiers
| CAS Number | 112446-52-3 |
|---|---|
| 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 |
Product Overview
RefChem:1056535 (CAS 112446-52-3), with molecular formula C28H33ClN2O9S and molecular weight 608.16 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);2-[4-[1-(5-chloro-2-phenylsulfanylphenyl)ethyl]piperazin-1-yl]ethanol.
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 175.91 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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 608.16 g/mol.
Where can I buy RefChem:1056535?
You can request a quote for RefChem:1056535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056535?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.