RefChem:1084591
TL;DR: RefChem:1084591 (CAS 56660-15-2) is a chemical compound with molecular formula C22H28N2O11S and molecular weight 528.14 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-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone
Also Known As: 2-(4-Methyl-1-piperazinyl)-1-(4-(methylsulfonyl)phenyl)ethanone dimaleate, Ethanone, 2-(4-methyl-1-piperazinyl)-1-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:2), (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone, ETHANONE, 2-(4-METHYL-1-PIPERAZINYL)-1-(4-(METHYLSULFONYL)PHENYL)-, (Z)-2-BUTENE, RefChem:1084591
| Molecular Formula | C22H28N2O11S |
|---|---|
| Molecular Weight | 528.14 g/mol |
| LogP | -0.0562 |
| Topological Polar Surface Area | 206.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.14136 |
| Heavy Atoms | 36 |
| Complexity | 1019.49603 |
Chemical Identifiers
| CAS Number | 56660-15-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1084591 (CAS 56660-15-2), with molecular formula C22H28N2O11S and molecular weight 528.14 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone.
Chemical Property Profile of RefChem:1084591
Property Insights of RefChem:1084591
The XLogP value of -0.0562 indicates that RefChem:1084591 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.89 Ų indicates high polarity, suggesting RefChem:1084591 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084591 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084591?
The CAS number of RefChem:1084591 is 56660-15-2.
What is the molecular formula of RefChem:1084591?
The molecular formula of RefChem:1084591 is C22H28N2O11S.
What is the molecular weight of RefChem:1084591?
The molecular weight of RefChem:1084591 is 528.14 g/mol.
Where can I buy RefChem:1084591?
You can request a quote for RefChem:1084591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084591?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.