![4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide structure](/static/products/6464/646497-50-9.webp)
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide
TL;DR: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide (CAS 646497-50-9) is a chemical compound with molecular formula C14H19ClINO3 and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylmorpholin-4-ium iodide
Also Known As: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide, 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylmorpholin-4-ium;iodide, 4-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-4-methylmorpholin-4-ium iodide, 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylmorpholin-4-ium iodide
| Molecular Formula | C14H19ClINO3 |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | -0.8127 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.00983 |
| Heavy Atoms | 20 |
| Complexity | 477.73196 |
Chemical Identifiers
| CAS Number | 646497-50-9 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CC2=CC(=CC3=C2OCOC3)Cl.[I-] |
Product Overview
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide (CAS 646497-50-9), with molecular formula C14H19ClINO3 and molecular weight 411.01 g/mol. IUPAC: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylmorpholin-4-ium iodide.
Chemical Property Profile of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide
Property Insights of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide
The XLogP value of -0.8127 indicates that 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.69 Ų, 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium 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 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide?
The CAS number of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide is 646497-50-9.
What is the molecular formula of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide?
The molecular formula of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide is C14H19ClINO3.
What is the molecular weight of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide?
The molecular weight of 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide is 411.01 g/mol.
Where can I buy 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide?
You can request a quote for 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-1,4-oxazinan-4-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.