RefChem:1097580
TL;DR: RefChem:1097580 (CAS 58722-55-7) is a chemical compound with molecular formula C26H31N3O7S and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(4-phenylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
Also Known As: 1-((4-((4-Phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)pyrrolidine maleate hydrate, Pyrrolidine, 1-((4-((4-phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate, hydrate, (E)-but-2-enedioic acid; 2-(4-phenylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone, RefChem:1097580
| Molecular Formula | C26H31N3O7S |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 2.1878 |
| Topological Polar Surface Area | 135.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1883 |
| Heavy Atoms | 37 |
| Complexity | 1184.4912 |
Chemical Identifiers
| CAS Number | 58722-55-7 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097580 (CAS 58722-55-7), with molecular formula C26H31N3O7S and molecular weight 529.19 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(4-phenylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone.
Chemical Property Profile of RefChem:1097580
Property Insights of RefChem:1097580
The XLogP value of 2.1878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097580. The TPSA of 135.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097580. Following Lipinski's Rule of Five, RefChem:1097580 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097580?
The CAS number of RefChem:1097580 is 58722-55-7.
What is the molecular formula of RefChem:1097580?
The molecular formula of RefChem:1097580 is C26H31N3O7S.
What is the molecular weight of RefChem:1097580?
The molecular weight of RefChem:1097580 is 529.19 g/mol.
Where can I buy RefChem:1097580?
You can request a quote for RefChem:1097580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097580?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.