Metofenazate difumarate
TL;DR: Metofenazate difumarate (CAS 522-23-6) is a chemical compound with molecular formula C39H44ClN3O13S and molecular weight 829.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Also Known As: Phrenolon, Frenolon, Metofenazate difumarate, T2 difumarate, Metofenazate
| Molecular Formula | C39H44ClN3O13S |
|---|---|
| Molecular Weight | 829.23 g/mol |
| LogP | 5.2568 |
| Topological Polar Surface Area | 212.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Exact Mass | 829.22833 |
| Heavy Atoms | 57 |
| Complexity | 1841.7408 |
Chemical Identifiers
| CAS Number | 522-23-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=C(SC5=CC=CC=C35)C=CC(=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Metofenazate difumarate (CAS 522-23-6), with molecular formula C39H44ClN3O13S and molecular weight 829.23 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Metofenazate difumarate
Property Insights of Metofenazate difumarate
The XLogP value of 5.2568 indicates that Metofenazate difumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.91 Ų indicates high polarity, suggesting Metofenazate difumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metofenazate difumarate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metofenazate difumarate?
The CAS number of Metofenazate difumarate is 522-23-6.
What is the molecular formula of Metofenazate difumarate?
The molecular formula of Metofenazate difumarate is C39H44ClN3O13S.
What is the molecular weight of Metofenazate difumarate?
The molecular weight of Metofenazate difumarate is 829.23 g/mol.
Where can I buy Metofenazate difumarate?
You can request a quote for Metofenazate difumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metofenazate difumarate?
Yes, KEHONG BIO provides custom synthesis services for Metofenazate difumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.