3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate
TL;DR: 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate (CAS 25460-30-4) is a chemical compound with molecular formula C41H45N3O6S2 and molecular weight 739.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Also Known As: 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate, 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate, 3-[[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazaniumyl]methyl]benzenesulfonate, 3-{[(4-{[4-(Diethylamino)phenyl](4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)(ethyl)azaniumyl]methyl}benzene-1-sulfonate
| Molecular Formula | C41H45N3O6S2 |
|---|---|
| Molecular Weight | 739.27 g/mol |
| LogP | 7.3116 |
| Topological Polar Surface Area | 121.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 739.27496 |
| Heavy Atoms | 52 |
| Complexity | 2218.074 |
Chemical Identifiers
| CAS Number | 25460-30-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-] |
Product Overview
3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate (CAS 25460-30-4), with molecular formula C41H45N3O6S2 and molecular weight 739.27 g/mol. IUPAC: 3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Chemical Property Profile of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate
Property Insights of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate
The XLogP value of 7.3116 indicates that 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate. Following Lipinski's Rule of Five, 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate?
The CAS number of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate is 25460-30-4.
What is the molecular formula of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate?
The molecular formula of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate is C41H45N3O6S2.
What is the molecular weight of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate?
The molecular weight of 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate is 739.27 g/mol.
Where can I buy 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate?
You can request a quote for 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(((4-((4-(Diethylamino)phenyl)(4-(ethyl(3-sulfobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.