RefChem:156881
TL;DR: RefChem:156881 (CAS 82171-32-2) is a chemical compound with molecular formula C27H33N3O3 and molecular weight 447.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(dimethylamino)phenyl]-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate
Also Known As: Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-((2-hydroxyethyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, acetate (salt), Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-((2-hydroxyethyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, acetate (1:1), Methanaminium, N-(4-(dimethylamino)phenyl(4-((2-hydroxyethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, acetate, Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[(2-hydroxyethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, acetate (salt), [4-[(4-dimethylaminophenyl)-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate
| Molecular Formula | C27H33N3O3 |
|---|---|
| Molecular Weight | 447.25 g/mol |
| LogP | 2.554 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.2522 |
| Heavy Atoms | 33 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 82171-32-2 |
|---|---|
| SMILES | CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)NCCO |
| InChIKey | ANVPULAILYRPQG-UHFFFAOYSA-N |
Product Overview
RefChem:156881 (CAS 82171-32-2), with molecular formula C27H33N3O3 and molecular weight 447.25 g/mol. IUPAC: [4-[[4-(dimethylamino)phenyl]-[4-(2-hydroxyethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate.
Chemical Property Profile of RefChem:156881
Property Insights of RefChem:156881
The XLogP value of 2.554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:156881. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:156881. Following Lipinski's Rule of Five, RefChem:156881 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:156881?
The CAS number of RefChem:156881 is 82171-32-2.
What is the molecular formula of RefChem:156881?
The molecular formula of RefChem:156881 is C27H33N3O3.
What is the molecular weight of RefChem:156881?
The molecular weight of RefChem:156881 is 447.25 g/mol.
Where can I buy RefChem:156881?
You can request a quote for RefChem:156881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.