3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)
TL;DR: 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) (CAS 5406-76-8) is a chemical compound with molecular formula C8H17IN4 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane iodide
Also Known As: Formoiodine, Hexamethylenetetramine ethyl iodide, 3,5,7-Triaza-1-azoniaadamantane, 1-ethyl-, iodide, 3,5,7-Triaza-1-azoniaadamantane,1-ethyl-,iodide, 3,7-Triaza-1-azoniaadamantane, 1-ethyl-, iodide
| Molecular Formula | C8H17IN4 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | -3.48 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.0498 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 5406-76-8 |
|---|---|
| SMILES | CC[N+]12CN3CN(C1)CN(C3)C2.[I-] |
| InChIKey | ORUCAHYFTWCBGM-UHFFFAOYSA-M |
Product Overview
3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) (CAS 5406-76-8), with molecular formula C8H17IN4 and molecular weight 296.05 g/mol. IUPAC: 1-ethyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane iodide.
Chemical Property Profile of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)
Property Insights of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)
The XLogP value of -3.48 indicates that 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.7 Ų, 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) 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 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)?
The CAS number of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) is 5406-76-8.
What is the molecular formula of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)?
The molecular formula of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) is C8H17IN4.
What is the molecular weight of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)?
The molecular weight of 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) is 296.05 g/mol.
Where can I buy 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)?
You can request a quote for 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.