RefChem:1089952
TL;DR: RefChem:1089952 (CAS 58722-47-7) is a chemical compound with molecular formula C25H33N3O12S and molecular weight 599.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
Also Known As: 4-((4-((4-Methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)morpholine maleate (1:2), Morpholine, 4-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone, RefChem:1089952
| Molecular Formula | C25H33N3O12S |
|---|---|
| Molecular Weight | 599.18 g/mol |
| LogP | -0.4388 |
| Topological Polar Surface Area | 219.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 599.17847 |
| Heavy Atoms | 41 |
| Complexity | 1148.7188 |
Chemical Identifiers
| CAS Number | 58722-47-7 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1089952 (CAS 58722-47-7), with molecular formula C25H33N3O12S and molecular weight 599.18 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.
Chemical Property Profile of RefChem:1089952
Property Insights of RefChem:1089952
The XLogP value of -0.4388 indicates that RefChem:1089952 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.36 Ų indicates high polarity, suggesting RefChem:1089952 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1089952 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1089952?
The CAS number of RefChem:1089952 is 58722-47-7.
What is the molecular formula of RefChem:1089952?
The molecular formula of RefChem:1089952 is C25H33N3O12S.
What is the molecular weight of RefChem:1089952?
The molecular weight of RefChem:1089952 is 599.18 g/mol.
Where can I buy RefChem:1089952?
You can request a quote for RefChem:1089952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089952?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.