RefChem:1097579
TL;DR: RefChem:1097579 (CAS 58722-43-3) is a chemical compound with molecular formula C25H33N3O11S and molecular weight 583.18 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-pyrrolidin-1-ylsulfonylphenyl)ethanone
Also Known As: 1-((4-((4-Methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)pyrrolidine maleate hydrate (1:2:1), Pyrrolidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate, hydrate (1:2:1), (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone, RefChem:1097579
| Molecular Formula | C25H33N3O11S |
|---|---|
| Molecular Weight | 583.18 g/mol |
| LogP | 0.3248 |
| Topological Polar Surface Area | 210.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 583.1836 |
| Heavy Atoms | 40 |
| Complexity | 1130.8694 |
Chemical Identifiers
| CAS Number | 58722-43-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097579 (CAS 58722-43-3), with molecular formula C25H33N3O11S and molecular weight 583.18 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.
Chemical Property Profile of RefChem:1097579
Property Insights of RefChem:1097579
The XLogP value of 0.3248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097579. The TPSA of 210.13 Ų indicates high polarity, suggesting RefChem:1097579 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097579 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:1097579?
The CAS number of RefChem:1097579 is 58722-43-3.
What is the molecular formula of RefChem:1097579?
The molecular formula of RefChem:1097579 is C25H33N3O11S.
What is the molecular weight of RefChem:1097579?
The molecular weight of RefChem:1097579 is 583.18 g/mol.
Where can I buy RefChem:1097579?
You can request a quote for RefChem:1097579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.