Methapyrilene fumarate
TL;DR: Methapyrilene fumarate (CAS 5967-64-6) is a chemical compound with molecular formula C40H50N6O12S2 and molecular weight 870.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((E)-but-2-enedioic acid);bis(N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine)
Also Known As: Methapyrilene fumarate, Thenylpyramine fumarate, Metapyrilene fumarate, metapyrilenefumarate, Methapyrilene fumarate [USP]
| Molecular Formula | C40H50N6O12S2 |
|---|---|
| Molecular Weight | 870.29 g/mol |
| LogP | 4.558 |
| Topological Polar Surface Area | 262.54 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 870.2928 |
| Heavy Atoms | 60 |
| Complexity | 1690.4525 |
Chemical Identifiers
| CAS Number | 5967-64-6 |
|---|---|
| SMILES | CN(CCN(C1=CC=CC=N1)CC2=CC=CS2)C.CN(CCN(C1=CC=CC=N1)CC2=CC=CS2)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Methapyrilene fumarate (CAS 5967-64-6), with molecular formula C40H50N6O12S2 and molecular weight 870.29 g/mol. IUPAC: tris((E)-but-2-enedioic acid);bis(N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine).
Chemical Property Profile of Methapyrilene fumarate
Property Insights of Methapyrilene fumarate
The XLogP value of 4.558 indicates that Methapyrilene fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 262.54 Ų indicates high polarity, suggesting Methapyrilene fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methapyrilene fumarate has 6 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 Methapyrilene fumarate?
The CAS number of Methapyrilene fumarate is 5967-64-6.
What is the molecular formula of Methapyrilene fumarate?
The molecular formula of Methapyrilene fumarate is C40H50N6O12S2.
What is the molecular weight of Methapyrilene fumarate?
The molecular weight of Methapyrilene fumarate is 870.29 g/mol.
Where can I buy Methapyrilene fumarate?
You can request a quote for Methapyrilene fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methapyrilene fumarate?
Yes, KEHONG BIO provides custom synthesis services for Methapyrilene fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.