1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
TL;DR: 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide (CAS 2906-84-5) is a chemical compound with molecular formula C17H26INO3 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylazepan-1-ium iodide
Also Known As: 1-(2-1-methylhexahydro-1h-azepiniumiodide, 1-(2-(1,4-Benzodioxan-5-yloxy)ethyl)-1-methylhexahydro-1H-azepinium iodide, 1-(2- -1-methylhexahydro-1H-azepiniumiodide, 1H-AZEPINIUM, HEXAHYDRO-1-(2-(1,4-BENZODIOXAN-5-YLOXY)ETHYL)-1-METHYL-, IODIDE, 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylazepan-1-ium iodide
| Molecular Formula | C17H26INO3 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.09573 |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 2906-84-5 |
|---|---|
| SMILES | C[N+]1(CCCCCC1)CCOC2=CC=CC3=C2OCCO3.[I-] |
| InChIKey | KAOXMQZGJURCQP-UHFFFAOYSA-M |
Product Overview
1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide (CAS 2906-84-5), with molecular formula C17H26INO3 and molecular weight 419.10 g/mol. IUPAC: 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylazepan-1-ium iodide.
Chemical Property Profile of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
Property Insights of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
The XLogP value of -0.14 indicates that 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.7 Ų, 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide has 0 hydrogen bond donor(s) and 4 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 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide?
The CAS number of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide is 2906-84-5.
What is the molecular formula of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide?
The molecular formula of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide is C17H26INO3.
What is the molecular weight of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide?
The molecular weight of 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide is 419.10 g/mol.
Where can I buy 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide?
You can request a quote for 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepinium, hexahydro-1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.