Ethyl Green cation
TL;DR: Ethyl Green cation (CAS 22244-13-9) is a chemical compound with molecular formula C27H35N3+2 and molecular weight 401.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium
Also Known As: Ethyl Green cation, Methyl green, Methyl Green cation, ethyl green(2+), NCI60_002649
| Molecular Formula | C27H35N3+2 |
|---|---|
| Molecular Weight | 401.28 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.2831 |
| Heavy Atoms | 30 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 22244-13-9 |
|---|---|
| SMILES | CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C |
| InChIKey | ZRJYQNPSWSGCMS-UHFFFAOYSA-N |
Product Overview
Ethyl Green cation (CAS 22244-13-9), with molecular formula C27H35N3+2 and molecular weight 401.28 g/mol. IUPAC: [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium.
Chemical Property Profile of Ethyl Green cation
Property Insights of Ethyl Green cation
The XLogP value of 5.1 indicates that Ethyl Green cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, Ethyl Green cation exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl Green cation has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl Green cation?
The CAS number of Ethyl Green cation is 22244-13-9.
What is the molecular formula of Ethyl Green cation?
The molecular formula of Ethyl Green cation is C27H35N3+2.
What is the molecular weight of Ethyl Green cation?
The molecular weight of Ethyl Green cation is 401.28 g/mol.
Where can I buy Ethyl Green cation?
You can request a quote for Ethyl Green cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl Green cation?
Yes, KEHONG BIO provides custom synthesis services for Ethyl Green cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.