RefChem:133458
TL;DR: RefChem:133458 (CAS 25305-96-8) is a chemical compound with molecular formula C33H37N5O11S2 and molecular weight 743.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(diethylamino)phenyl]-[5-(2,4-dinitroanilino)-2,4-disulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium hydroxide
Also Known As: EINECS 246-803-1, Diethyl(4-((4-(diethylamino)phenyl)(5-((2,4-dinitrophenyl)amino)-2,4-disulphophenyl)methylene)-2,5-cyclohexadien-1-ylidene)ammonium hydroxide, Diethyl[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulphophenyl]methylene]-2,5-cyclohexadien-1-ylidene]ammonium hydroxide, Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-((2,4-dinitrophenyl)amino)-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, Ethanaminium, N-[4-[[4-(diethylamino)phenyl] [5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl ]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethy l-, hydroxide, inner salt
| Molecular Formula | C33H37N5O11S2 |
|---|---|
| Molecular Weight | 743.19 g/mol |
| LogP | 5.8306 |
| Topological Polar Surface Area | 243.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 743.1931 |
| Heavy Atoms | 51 |
| Complexity | 2165.701 |
Chemical Identifiers
| CAS Number | 25305-96-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].[OH-] |
Product Overview
RefChem:133458 (CAS 25305-96-8), with molecular formula C33H37N5O11S2 and molecular weight 743.19 g/mol. IUPAC: [4-[[4-(diethylamino)phenyl]-[5-(2,4-dinitroanilino)-2,4-disulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium hydroxide.
Chemical Property Profile of RefChem:133458
Property Insights of RefChem:133458
The XLogP value of 5.8306 indicates that RefChem:133458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.3 Ų indicates high polarity, suggesting RefChem:133458 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:133458 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:133458?
The CAS number of RefChem:133458 is 25305-96-8.
What is the molecular formula of RefChem:133458?
The molecular formula of RefChem:133458 is C33H37N5O11S2.
What is the molecular weight of RefChem:133458?
The molecular weight of RefChem:133458 is 743.19 g/mol.
Where can I buy RefChem:133458?
You can request a quote for RefChem:133458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:133458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:133458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.