![4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate structure](/static/products/5573/5573-22-8.webp)
4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
TL;DR: 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate (CAS 5573-22-8) is a chemical compound with molecular formula C41H44N3O6S2- and molecular weight 738.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Also Known As: 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate, 4-({[(1E,4E)-4-{[4-(Diethylamino)phenyl](4-{ethyl[(4-sulfonatophenyl)methyl]amino}phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene](ethyl)azaniumyl}methyl)benzene-1-sulfonate
| Molecular Formula | C41H44N3O6S2- |
|---|---|
| Molecular Weight | 738.27 g/mol |
| LogP | 6.969 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 738.26715 |
| Heavy Atoms | 52 |
| Complexity | 2183.574 |
Chemical Identifiers
| CAS Number | 5573-22-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC=C(C=C5)S(=O)(=O)[O-] |
Product Overview
4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate (CAS 5573-22-8), with molecular formula C41H44N3O6S2- and molecular weight 738.27 g/mol. IUPAC: 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Chemical Property Profile of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Property Insights of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
The XLogP value of 6.969 indicates that 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate. Following Lipinski's Rule of Five, 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate has 0 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 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate?
The CAS number of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate is 5573-22-8.
What is the molecular formula of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate?
The molecular formula of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate is C41H44N3O6S2-.
What is the molecular weight of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate?
The molecular weight of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate is 738.27 g/mol.
Where can I buy 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate?
You can request a quote for 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.