N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate
TL;DR: N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate (CAS 2437-29-8) is a chemical compound with molecular formula C27H28N2O8 and molecular weight 508.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acid
Also Known As: Basic Green 4, Malachite Green Oxalate, Malachite Green oxalate salt, BRILLIANT GREEN OXALATE, malachite green, oxalate[4:1]
| Molecular Formula | C27H28N2O8 |
|---|---|
| Molecular Weight | 508.18 g/mol |
| LogP | 1.37 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 508.18457 |
| Heavy Atoms | 37 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 2437-29-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O |
| InChIKey | ISCIXAIEDTZJCQ-UHFFFAOYSA-M |
Product Overview
N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate (CAS 2437-29-8), with molecular formula C27H28N2O8 and molecular weight 508.18 g/mol. IUPAC: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acid.
Chemical Property Profile of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate
Property Insights of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate
The XLogP value of 1.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate. The TPSA of 158.0 Ų indicates high polarity, suggesting N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate?
The CAS number of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate is 2437-29-8.
What is the molecular formula of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate?
The molecular formula of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate is C27H28N2O8.
What is the molecular weight of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate?
The molecular weight of N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate is 508.18 g/mol.
Where can I buy N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate?
You can request a quote for N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate?
Yes, KEHONG BIO provides custom synthesis services for N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.