RefChem:1096025
TL;DR: RefChem:1096025 (CAS 40028-18-0) is a chemical compound with molecular formula C25H30N2O8S2 and molecular weight 550.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-methyl-4-(2-phenylsulfanyl-1-thiophen-2-ylethyl)piperazine
Also Known As: 1-Methyl-4-(2-(phenylthio)-1-(2-thienyl)ethyl)piperazine dimaleate, Piperazine, 1-methyl-4-(2-(phenylthio)-1-(2-thienyl)ethyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-methyl-4-(2-phenylsulfanyl-1-thiophen-2-ylethyl)piperazine, RefChem:1096025
| Molecular Formula | C25H30N2O8S2 |
|---|---|
| Molecular Weight | 550.14 g/mol |
| LogP | 3.2525 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 550.14435 |
| Heavy Atoms | 37 |
| Complexity | 968.2258 |
Chemical Identifiers
| CAS Number | 40028-18-0 |
|---|---|
| SMILES | CN1CCN(CC1)C(C2=CC=CS2)CSC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096025 (CAS 40028-18-0), with molecular formula C25H30N2O8S2 and molecular weight 550.14 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(2-phenylsulfanyl-1-thiophen-2-ylethyl)piperazine.
Chemical Property Profile of RefChem:1096025
Property Insights of RefChem:1096025
The XLogP value of 3.2525 indicates that RefChem:1096025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1096025 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096025 has 4 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:1096025?
The CAS number of RefChem:1096025 is 40028-18-0.
What is the molecular formula of RefChem:1096025?
The molecular formula of RefChem:1096025 is C25H30N2O8S2.
What is the molecular weight of RefChem:1096025?
The molecular weight of RefChem:1096025 is 550.14 g/mol.
Where can I buy RefChem:1096025?
You can request a quote for RefChem:1096025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096025?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.