Acetophenazine maleate
TL;DR: Acetophenazine maleate (CAS 5714-00-1) is a chemical compound with molecular formula C31H37N3O10S and molecular weight 643.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
Also Known As: Acetophenazine maleate, Acetophenazine dimaleate
| Molecular Formula | C31H37N3O10S |
|---|---|
| Molecular Weight | 643.22 g/mol |
| LogP | 2.9155 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 643.22 |
| Heavy Atoms | 45 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 5714-00-1 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | NUKVZKPNSKJGBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetophenazine maleate (CAS 5714-00-1), with molecular formula C31H37N3O10S and molecular weight 643.22 g/mol. IUPAC: bis(but-2-enedioic acid);1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone.
Chemical Property Profile of Acetophenazine maleate
Property Insights of Acetophenazine maleate
The XLogP value of 2.9155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenazine maleate. The TPSA of 222.0 Ų indicates high polarity, suggesting Acetophenazine maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetophenazine maleate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetophenazine maleate?
The CAS number of Acetophenazine maleate is 5714-00-1.
What is the molecular formula of Acetophenazine maleate?
The molecular formula of Acetophenazine maleate is C31H37N3O10S.
What is the molecular weight of Acetophenazine maleate?
The molecular weight of Acetophenazine maleate is 643.22 g/mol.
Where can I buy Acetophenazine maleate?
You can request a quote for Acetophenazine maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenazine maleate?
Yes, KEHONG BIO provides custom synthesis services for Acetophenazine maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.