C43H49N3O6S2
TL;DR: C43H49N3O6S2 (CAS 25305-87-7) is a chemical compound with molecular formula C43H50N3O6S2+ and molecular weight 768.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Also Known As: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium|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-, hydroxide, 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|Hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium
| Molecular Formula | C43H50N3O6S2+ |
|---|---|
| Molecular Weight | 768.31 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 768.3141 |
| Heavy Atoms | 54 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 25305-87-7 |
|---|---|
| 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-O |
Product Overview
C43H49N3O6S2 (CAS 25305-87-7), with molecular formula C43H50N3O6S2+ and molecular weight 768.31 g/mol. IUPAC: [4-[bis[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium.
Chemical Property Profile of C43H49N3O6S2
Property Insights of C43H49N3O6S2
The XLogP value of 7.5 indicates that C43H49N3O6S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C43H49N3O6S2. Following Lipinski's Rule of Five, C43H49N3O6S2 has 2 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 C43H49N3O6S2?
The CAS number of C43H49N3O6S2 is 25305-87-7.
What is the molecular formula of C43H49N3O6S2?
The molecular formula of C43H49N3O6S2 is C43H50N3O6S2+.
What is the molecular weight of C43H49N3O6S2?
The molecular weight of C43H49N3O6S2 is 768.31 g/mol.
Where can I buy C43H49N3O6S2?
You can request a quote for C43H49N3O6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C43H49N3O6S2?
Yes, KEHONG BIO provides custom synthesis services for C43H49N3O6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.