RefChem:156891
TL;DR: RefChem:156891 (CAS 68527-61-7) is a chemical compound with molecular formula C30H30N2O2 and molecular weight 450.23 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 benzoate
Also Known As: Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, benzoate, [4-[alpha-[4-(Dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium benzoate, Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate, Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, benzoate (1:1), (4-(alpha-(4-(Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium benzoate
| Molecular Formula | C30H30N2O2 |
|---|---|
| Molecular Weight | 450.23 g/mol |
| LogP | 4.44 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.23074 |
| Heavy Atoms | 34 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 68527-61-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | XXDIMAOKYNRIQM-UHFFFAOYSA-M |
Product Overview
RefChem:156891 (CAS 68527-61-7), with molecular formula C30H30N2O2 and molecular weight 450.23 g/mol. IUPAC: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium benzoate.
Chemical Property Profile of RefChem:156891
Property Insights of RefChem:156891
The XLogP value of 4.44 indicates that RefChem:156891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, RefChem:156891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:156891 has 0 hydrogen bond donor(s) and 3 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:156891?
The CAS number of RefChem:156891 is 68527-61-7.
What is the molecular formula of RefChem:156891?
The molecular formula of RefChem:156891 is C30H30N2O2.
What is the molecular weight of RefChem:156891?
The molecular weight of RefChem:156891 is 450.23 g/mol.
Where can I buy RefChem:156891?
You can request a quote for RefChem:156891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.