Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide
TL;DR: Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide (CAS 102571-37-9) is a chemical compound with molecular formula C17H28IN3OS and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide
Also Known As: (2,1,3-Benzothia(S IV)diazol-5-yl)dimethyloctoxymethylammonium iodide, AMMONIUM, (2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)DIMETHYLOCTYLOXYMETHYL-, IODIDE, 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium;iodide, n,n-dimethyl-n-[(octyloxy)methyl]-2,1,3-benzothiadiazol-5-aminium iodide, 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide
| Molecular Formula | C17H28IN3OS |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.0998 |
| Heavy Atoms | 23 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 102571-37-9 |
|---|---|
| SMILES | CCCCCCCCOC[N+](C)(C)C1=CC2=NSN=C2C=C1.[I-] |
| InChIKey | BCMUOJDUDQXYSQ-UHFFFAOYSA-M |
Product Overview
Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide (CAS 102571-37-9), with molecular formula C17H28IN3OS and molecular weight 449.10 g/mol. IUPAC: 2,1,3-benzothiadiazol-5-yl-dimethyl-(octoxymethyl)azanium iodide.
Chemical Property Profile of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide
Property Insights of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide. Following Lipinski's Rule of Five, Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide has 0 hydrogen bond donor(s) and 5 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 Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide?
The CAS number of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide is 102571-37-9.
What is the molecular formula of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide?
The molecular formula of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide is C17H28IN3OS.
What is the molecular weight of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide?
The molecular weight of Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide is 449.10 g/mol.
Where can I buy Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide?
You can request a quote for Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2,1,3-benzothia(S IV)diazol-5-yl)dimethyloctyloxymethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.