Einecs 268-392-8
TL;DR: Einecs 268-392-8 (CAS 68083-43-2) is a chemical compound with molecular formula C74H98N9+3 and molecular weight 1112.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris([4-[[4-(dimethylamino)phenyl]-[4-(methylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane
Also Known As: KST-1A7571, [4-[(4-dimethylaminophenyl)-(4-methylaminophenyl)methyl]-1-cyclohexa-2,5-dienylidene]-dimethyl-ammonium; methane, [4-[(4-dimethylaminophenyl)-[4-(methylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; methane, Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, tetracosa-mu-oxododecaoxo(:12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1)
| Molecular Formula | C74H98N9+3 |
|---|---|
| Molecular Weight | 1112.79 g/mol |
| LogP | 14.42 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 1112.7946 |
| Heavy Atoms | 83 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 68083-43-2 |
|---|---|
| SMILES | C.C.CNC1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CNC1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CNC1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C |
| InChIKey | ZQDYBBIJOGYBGJ-UHFFFAOYSA-N |
Product Overview
Einecs 268-392-8 (CAS 68083-43-2), with molecular formula C74H98N9+3 and molecular weight 1112.79 g/mol. IUPAC: tris([4-[[4-(dimethylamino)phenyl]-[4-(methylamino)phenyl]methyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane.
Chemical Property Profile of Einecs 268-392-8
Property Insights of Einecs 268-392-8
The XLogP value of 14.42 indicates that Einecs 268-392-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Einecs 268-392-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 268-392-8 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 268-392-8?
The CAS number of Einecs 268-392-8 is 68083-43-2.
What is the molecular formula of Einecs 268-392-8?
The molecular formula of Einecs 268-392-8 is C74H98N9+3.
What is the molecular weight of Einecs 268-392-8?
The molecular weight of Einecs 268-392-8 is 1112.79 g/mol.
Where can I buy Einecs 268-392-8?
You can request a quote for Einecs 268-392-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 268-392-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 268-392-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.