3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide
TL;DR: 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide (CAS 357-76-6) is a chemical compound with molecular formula C16H22INOS and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium iodide
Also Known As: DL-2-Amino-5-phosphonovaleric acid, (3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)trimethylammonium iodide, (3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium iodide, 3-hydroxy-n,n,n-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide, 2-Thiophenepropanaminium, gamma-hydroxy-N,N,N-trimethyl-gamma-phenyl-, iodide
| Molecular Formula | C16H22INOS |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 0.08 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.0467 |
| Heavy Atoms | 20 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 357-76-6 |
|---|---|
| SMILES | C[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CS2)O.[I-] |
| InChIKey | WSJMOXGMNDDXMQ-UHFFFAOYSA-M |
Product Overview
3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide (CAS 357-76-6), with molecular formula C16H22INOS and molecular weight 403.05 g/mol. IUPAC: (3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium iodide.
Chemical Property Profile of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide
Property Insights of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide
The XLogP value of 0.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide. With a topological polar surface area (TPSA) of 48.5 Ų, 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide has 1 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-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?
The CAS number of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is 357-76-6.
What is the molecular formula of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?
The molecular formula of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is C16H22INOS.
What is the molecular weight of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?
The molecular weight of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is 403.05 g/mol.
Where can I buy 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?
You can request a quote for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-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-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.