3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide
TL;DR: 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide (CAS 127119-33-9) is a chemical compound with molecular formula C14H22INO3 and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethoxyphenyl)-3-oxopropyl]-trimethylazanium iodide
Also Known As: 3,4-Dimethoxy-gamma-oxo-N,N,N-trimethylbenzenepropanaminium iodide, [3-(3,4-dimethoxyphenyl)-3-oxopropyl]-trimethylazanium;iodide, 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide, Benzenepropanaminium, 3,4-dimethoxy-gamma-oxo-N,N,N-trimethyl-, iodide, [3-(3,4-dimethoxyphenyl)-3-oxopropyl]-trimethylazanium iodide
| Molecular Formula | C14H22INO3 |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | -1.0132 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.06445 |
| Heavy Atoms | 19 |
| Complexity | 427.1895 |
Chemical Identifiers
| CAS Number | 127119-33-9 |
|---|---|
| SMILES | C[N+](C)(C)CCC(=O)C1=CC(=C(C=C1)OC)OC.[I-] |
Product Overview
3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide (CAS 127119-33-9), with molecular formula C14H22INO3 and molecular weight 379.06 g/mol. IUPAC: [3-(3,4-dimethoxyphenyl)-3-oxopropyl]-trimethylazanium iodide.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide
Property Insights of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide
The XLogP value of -1.0132 indicates that 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.53 Ų, 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide 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 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide?
The CAS number of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide is 127119-33-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide is C14H22INO3.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide is 379.06 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-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 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-N,N,N-trimethyl-3-oxopropan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.