RefChem:156879
TL;DR: RefChem:156879 (CAS 83950-33-8) is a chemical compound with molecular formula C28H36ClN3O2 and molecular weight 481.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Also Known As: Methanaminium, N-(4-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride, [4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride, Methanaminium, N-(4-((4-(bis(2-hydroxyethyl)amino)-2-methylphenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (1:1), Methanaminium, N-(4-((4-(bis(2-hydroxyethyl)amino)phenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride, Methanaminium, N-[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl][4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
| Molecular Formula | C28H36ClN3O2 |
|---|---|
| Molecular Weight | 481.25 g/mol |
| LogP | 0.49702 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.2496 |
| Heavy Atoms | 34 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 83950-33-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCO)CCO)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-] |
| InChIKey | NZLQKXXAWCYRFF-UHFFFAOYSA-M |
Product Overview
RefChem:156879 (CAS 83950-33-8), with molecular formula C28H36ClN3O2 and molecular weight 481.25 g/mol. IUPAC: [4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.
Chemical Property Profile of RefChem:156879
Property Insights of RefChem:156879
The XLogP value of 0.49702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:156879. With a topological polar surface area (TPSA) of 50.0 Ų, RefChem:156879 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:156879 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:156879?
The CAS number of RefChem:156879 is 83950-33-8.
What is the molecular formula of RefChem:156879?
The molecular formula of RefChem:156879 is C28H36ClN3O2.
What is the molecular weight of RefChem:156879?
The molecular weight of RefChem:156879 is 481.25 g/mol.
Where can I buy RefChem:156879?
You can request a quote for RefChem:156879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.