N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide
TL;DR: N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide (CAS 63446-12-8) is a chemical compound with molecular formula C17H24INO and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[4-(furan-2-yl)butyl]-dimethylazanium iodide
Also Known As: Benzyldimethyl(4-(2-furyl)butyl)ammonium iodide, AMMONIUM, BENZYLDIMETHYL(4-(2-FURYL)BUTYL)-, IODIDE, benzyl-[4-(furan-2-yl)butyl]-dimethylazanium iodide, benzyl-[4-(furan-2-yl)butyl]-dimethylazanium,iodide, N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide
| Molecular Formula | C17H24INO |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 0.88 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.09027 |
| Heavy Atoms | 20 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 63446-12-8 |
|---|---|
| SMILES | C[N+](C)(CCCCC1=CC=CO1)CC2=CC=CC=C2.[I-] |
| InChIKey | MVRQHJBUFFCHFO-UHFFFAOYSA-M |
Product Overview
N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide (CAS 63446-12-8), with molecular formula C17H24INO and molecular weight 385.09 g/mol. IUPAC: benzyl-[4-(furan-2-yl)butyl]-dimethylazanium iodide.
Chemical Property Profile of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide
Property Insights of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide
The XLogP value of 0.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide. With a topological polar surface area (TPSA) of 13.1 Ų, N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide 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 N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide?
The CAS number of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide is 63446-12-8.
What is the molecular formula of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide?
The molecular formula of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide is C17H24INO.
What is the molecular weight of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide?
The molecular weight of N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide is 385.09 g/mol.
Where can I buy N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide?
You can request a quote for N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-4-(furan-2-yl)-N,N-dimethylbutan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.