N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide
TL;DR: N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide (CAS 5281-41-4) is a chemical compound with molecular formula C12H22INO and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[4-(furan-2-yl)butan-2-yl]-dimethylazanium iodide
Also Known As: Ammonium, dimethylethyl(4-(2-furyl)-2-butyl)-, iodide, n-ethyl-4-(furan-2-yl)-n,n-dimethylbutan-2-aminium iodide, Dimethylethyl(4-(2-furyl)-2-butyl)ammonium iodide, (3-(2-Furyl)-1-methylpropyl)trimethylammonium iodide, Ammonium, (3-(2-furyl)-1-methylpropyl)trimethyl-, iodide
| Molecular Formula | C12H22INO |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | -0.299 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.07462 |
| Heavy Atoms | 15 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 5281-41-4 |
|---|---|
| SMILES | CC[N+](C)(C)C(C)CCC1=CC=CO1.[I-] |
| InChIKey | ZWEXDTLXIXNMAC-UHFFFAOYSA-M |
Product Overview
N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide (CAS 5281-41-4), with molecular formula C12H22INO and molecular weight 323.07 g/mol. IUPAC: ethyl-[4-(furan-2-yl)butan-2-yl]-dimethylazanium iodide.
Chemical Property Profile of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide
Property Insights of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide
The XLogP value of -0.299 indicates that N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.1 Ų, N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-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-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide?
The CAS number of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide is 5281-41-4.
What is the molecular formula of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide?
The molecular formula of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide is C12H22INO.
What is the molecular weight of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide?
The molecular weight of N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide is 323.07 g/mol.
Where can I buy N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide?
You can request a quote for N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-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-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-4-(furan-2-yl)-N,N-dimethylbutan-2-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.