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Bis[(4-cyanophenyl)methyl]-dimethylazanium
TL;DR: Bis[(4-cyanophenyl)methyl]-dimethylazanium (CAS 6319-91-1) is a chemical compound with molecular formula C18H18N3+ and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(4-cyanophenyl)methyl]-dimethylazanium
Also Known As: bis[(4-cyanophenyl)methyl]-dimethylazanium, (4-Cyanophenyl)-N-[(4-cyanophenyl)methyl]-N,N-dimethylmethanaminium, Benzenemethanaminium,4-cyano-N-[(4-cyanophenyl)methyl]-N,N-dimethyl-, bromide (9CI)
| Molecular Formula | C18H18N3+ |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.1501 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 6319-91-1 |
|---|---|
| SMILES | C[N+](C)(CC1=CC=C(C=C1)C#N)CC2=CC=C(C=C2)C#N |
| InChIKey | RVVPVVYOXOIPLF-UHFFFAOYSA-N |
Product Overview
Bis[(4-cyanophenyl)methyl]-dimethylazanium (CAS 6319-91-1), with molecular formula C18H18N3+ and molecular weight 276.15 g/mol. IUPAC: bis[(4-cyanophenyl)methyl]-dimethylazanium.
Chemical Property Profile of Bis[(4-cyanophenyl)methyl]-dimethylazanium
Property Insights of Bis[(4-cyanophenyl)methyl]-dimethylazanium
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis[(4-cyanophenyl)methyl]-dimethylazanium. With a topological polar surface area (TPSA) of 47.6 Ų, Bis[(4-cyanophenyl)methyl]-dimethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis[(4-cyanophenyl)methyl]-dimethylazanium has 0 hydrogen bond donor(s) and 2 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 Bis[(4-cyanophenyl)methyl]-dimethylazanium?
The CAS number of Bis[(4-cyanophenyl)methyl]-dimethylazanium is 6319-91-1.
What is the molecular formula of Bis[(4-cyanophenyl)methyl]-dimethylazanium?
The molecular formula of Bis[(4-cyanophenyl)methyl]-dimethylazanium is C18H18N3+.
What is the molecular weight of Bis[(4-cyanophenyl)methyl]-dimethylazanium?
The molecular weight of Bis[(4-cyanophenyl)methyl]-dimethylazanium is 276.15 g/mol.
Where can I buy Bis[(4-cyanophenyl)methyl]-dimethylazanium?
You can request a quote for Bis[(4-cyanophenyl)methyl]-dimethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[(4-cyanophenyl)methyl]-dimethylazanium?
Yes, KEHONG BIO provides custom synthesis services for Bis[(4-cyanophenyl)methyl]-dimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.