RefChem:156877
TL;DR: RefChem:156877 (CAS 29636-46-2) is a chemical compound with molecular formula C23H24ClN3O3 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium nitrate
Also Known As: (4-((2-Chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium nitrate, Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, nitrate, Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, nitrate (1:1), [4-[(2-Chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium nitrate, Methanaminium, N-[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, nitrate
| Molecular Formula | C23H24ClN3O3 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 4.81 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.1506 |
| Heavy Atoms | 30 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 29636-46-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[N+](=O)([O-])[O-] |
| InChIKey | JCVMPRWRSFAMIT-UHFFFAOYSA-N |
Product Overview
RefChem:156877 (CAS 29636-46-2), with molecular formula C23H24ClN3O3 and molecular weight 425.15 g/mol. IUPAC: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium nitrate.
Chemical Property Profile of RefChem:156877
Property Insights of RefChem:156877
The XLogP value of 4.81 indicates that RefChem:156877 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:156877. Following Lipinski's Rule of Five, RefChem:156877 has 0 hydrogen bond donor(s) and 4 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:156877?
The CAS number of RefChem:156877 is 29636-46-2.
What is the molecular formula of RefChem:156877?
The molecular formula of RefChem:156877 is C23H24ClN3O3.
What is the molecular weight of RefChem:156877?
The molecular weight of RefChem:156877 is 425.15 g/mol.
Where can I buy RefChem:156877?
You can request a quote for RefChem:156877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156877?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.