RefChem:1089953
TL;DR: RefChem:1089953 (CAS 58722-59-1) is a chemical compound with molecular formula C26H31N3O8S and molecular weight 545.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
Also Known As: C22H27N3O4S.C4H4O4.3/2H2O, 4-((4-((4-Phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)morpholine maleate hydrate (2:2:3), C22-H27-N3-O4-S.C4-H4-O4.3/2H2-O, Morpholine, 4-((4-((4-phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate, hydrate (2:2:3), (E)-but-2-enedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C26H31N3O8S |
|---|---|
| Molecular Weight | 545.18 g/mol |
| LogP | 1.4242 |
| Topological Polar Surface Area | 144.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.18317 |
| Heavy Atoms | 38 |
| Complexity | 1202.8994 |
Chemical Identifiers
| CAS Number | 58722-59-1 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1089953 (CAS 58722-59-1), with molecular formula C26H31N3O8S and molecular weight 545.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of RefChem:1089953
Property Insights of RefChem:1089953
The XLogP value of 1.4242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089953. The TPSA of 144.76 Ų indicates high polarity, suggesting RefChem:1089953 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1089953 has 2 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:1089953?
The CAS number of RefChem:1089953 is 58722-59-1.
What is the molecular formula of RefChem:1089953?
The molecular formula of RefChem:1089953 is C26H31N3O8S.
What is the molecular weight of RefChem:1089953?
The molecular weight of RefChem:1089953 is 545.18 g/mol.
Where can I buy RefChem:1089953?
You can request a quote for RefChem:1089953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089953?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.