Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt
TL;DR: Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt (CAS 30056-92-9) is a chemical compound with molecular formula C43H49N3O6S2 and molecular weight 767.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
Also Known As: Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, 3-[[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate, hydrogen 3-({[4-([4-(diethylamino)phenyl]{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate, 3-{[(4-{[4-(diethylamino)phenyl](4-{ethyl[(3-sulfophenyl)methyl]amino}-2-methylphenyl)methylidene}-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)azaniumyl]methyl}benzene-1-sulfonate
| Molecular Formula | C43H49N3O6S2 |
|---|---|
| Molecular Weight | 767.31 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 767.3063 |
| Heavy Atoms | 54 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 30056-92-9 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC)C=C3)C4=C(C=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C)C |
| InChIKey | WYDXPOIAYSTTES-UHFFFAOYSA-N |
Product Overview
Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt (CAS 30056-92-9), with molecular formula C43H49N3O6S2 and molecular weight 767.31 g/mol. IUPAC: 3-[[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate.
Chemical Property Profile of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt
Property Insights of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt
The XLogP value of 7.4 indicates that Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt. Following Lipinski's Rule of Five, Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt?
The CAS number of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt is 30056-92-9.
What is the molecular formula of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt?
The molecular formula of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt is C43H49N3O6S2.
What is the molecular weight of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt?
The molecular weight of Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt is 767.31 g/mol.
Where can I buy Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt?
You can request a quote for Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.