3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide
TL;DR: 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide (CAS 52336-53-5) is a chemical compound with molecular formula C11H18INO2 and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium iodide
Also Known As: Coryneine iodide, 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide, 2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium;iodide, Benzeneethanaminium, 3,4-dihydroxy-N,N,N-trimethyl-, iodide, 2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium iodide
| Molecular Formula | C11H18INO2 |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | -1.6495 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.03824 |
| Heavy Atoms | 15 |
| Complexity | 320.85422 |
Chemical Identifiers
| CAS Number | 52336-53-5 |
|---|---|
| SMILES | C[N+](C)(C)CCC1=CC(=C(C=C1)O)O.[I-] |
Product Overview
3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide (CAS 52336-53-5), with molecular formula C11H18INO2 and molecular weight 323.04 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium iodide.
Chemical Property Profile of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide
Property Insights of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide
The XLogP value of -1.6495 indicates that 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide has 2 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 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide?
The CAS number of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide is 52336-53-5.
What is the molecular formula of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide?
The molecular formula of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide is C11H18INO2.
What is the molecular weight of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide?
The molecular weight of 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide is 323.04 g/mol.
Where can I buy 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide?
You can request a quote for 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-N,N,N-trimethylbenzeneethanaminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.