Methophenazine diethanesulfonate
TL;DR: Methophenazine diethanesulfonate (CAS 1674-48-2) is a chemical compound with molecular formula C35H48ClN3O11S3 and molecular weight 817.21 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;ethanesulfonic acid
Also Known As: Metofenazate diesylate, Methophenazine diethanesulfonate, Metofenazate diethanesulfonate, Benzoic acid, 3,4,5-trimethoxy-, 2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester, diethanesulfonate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(4-(3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL)-1-PIPERAZINYL)ETHYL ESTER, ETHANESULFONATE (1:2)
| Molecular Formula | C35H48ClN3O11S3 |
|---|---|
| Molecular Weight | 817.21 g/mol |
| LogP | 5.62 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 817.2139 |
| Heavy Atoms | 53 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 1674-48-2 |
|---|---|
| SMILES | CCS(=O)(=O)O.CCS(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl |
| InChIKey | YUUZEPKGGQPQLT-UHFFFAOYSA-N |
Product Overview
Methophenazine diethanesulfonate (CAS 1674-48-2), with molecular formula C35H48ClN3O11S3 and molecular weight 817.21 g/mol. IUPAC: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate;ethanesulfonic acid.
Chemical Property Profile of Methophenazine diethanesulfonate
Property Insights of Methophenazine diethanesulfonate
The XLogP value of 5.62 indicates that Methophenazine diethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.0 Ų indicates high polarity, suggesting Methophenazine diethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methophenazine diethanesulfonate has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methophenazine diethanesulfonate?
The CAS number of Methophenazine diethanesulfonate is 1674-48-2.
What is the molecular formula of Methophenazine diethanesulfonate?
The molecular formula of Methophenazine diethanesulfonate is C35H48ClN3O11S3.
What is the molecular weight of Methophenazine diethanesulfonate?
The molecular weight of Methophenazine diethanesulfonate is 817.21 g/mol.
Where can I buy Methophenazine diethanesulfonate?
You can request a quote for Methophenazine diethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methophenazine diethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methophenazine diethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.