4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide
TL;DR: 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide (CAS 53310-21-7) is a chemical compound with molecular formula C18H28INO and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium iodide
Also Known As: 6-Hydroxy-6-phenyl-N,N,N-triethyl-4-hexyn-1-aminium iodide, 4-HEXYN-1-AMINIUM, 6-HYDROXY-6-PHENYL-N,N,N-TRIETHYL-, IODIDE, triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium iodide, N,N,N-Triethyl-6-hydroxy-6-phenylhex-4-yn-1-aminium iodide, RefChem:1070718
| Molecular Formula | C18H28INO |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.12155 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 53310-21-7 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCCC#CC(C1=CC=CC=C1)O.[I-] |
| InChIKey | MCAXQGHPPPSIHV-UHFFFAOYSA-M |
Product Overview
4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide (CAS 53310-21-7), with molecular formula C18H28INO and molecular weight 401.12 g/mol. IUPAC: triethyl-(6-hydroxy-6-phenylhex-4-ynyl)azanium iodide.
Chemical Property Profile of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide
Property Insights of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide has 1 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 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide?
The CAS number of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide is 53310-21-7.
What is the molecular formula of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide?
The molecular formula of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide is C18H28INO.
What is the molecular weight of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide?
The molecular weight of 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide is 401.12 g/mol.
Where can I buy 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide?
You can request a quote for 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyn-1-aminium, 6-hydroxy-6-phenyl-N,N,N-triethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.