Metofenazate
TL;DR: Metofenazate (CAS 388-51-2) is a chemical compound with molecular formula C31H36ClN3O5S and molecular weight 597.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Also Known As: Metofenazate, Methophenazine, Metofenazato, Metofenazatum, Frenolon
| Molecular Formula | C31H36ClN3O5S |
|---|---|
| Molecular Weight | 597.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 597.2064 |
| Heavy Atoms | 41 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 388-51-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl |
| InChIKey | BAQLUVXNKOTTHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metofenazate (CAS 388-51-2), with molecular formula C31H36ClN3O5S and molecular weight 597.21 g/mol. IUPAC: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Metofenazate
Property Insights of Metofenazate
The XLogP value of 6.3 indicates that Metofenazate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Metofenazate. Following Lipinski's Rule of Five, Metofenazate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metofenazate?
The CAS number of Metofenazate is 388-51-2.
What is the molecular formula of Metofenazate?
The molecular formula of Metofenazate is C31H36ClN3O5S.
What is the molecular weight of Metofenazate?
The molecular weight of Metofenazate is 597.21 g/mol.
Where can I buy Metofenazate?
You can request a quote for Metofenazate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metofenazate?
Yes, KEHONG BIO provides custom synthesis services for Metofenazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.