1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide
TL;DR: 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide (CAS 50982-79-1) is a chemical compound with molecular formula C7H15N4+ and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane
Also Known As: Busan 1024, N-methylurotropinium iodide, Hexamethylenetetramine, methiodide, BAS 00170309, N-methylhexamethylenetetrammonium iodide
| Molecular Formula | C7H15N4+ |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.12967 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 50982-79-1 |
|---|---|
| SMILES | C[N+]12CN3CN(C1)CN(C3)C2 |
| InChIKey | ZWRDTZZCWMQVJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide (CAS 50982-79-1), with molecular formula C7H15N4+ and molecular weight 155.13 g/mol. IUPAC: 1-methyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide
Property Insights of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide. With a topological polar surface area (TPSA) of 9.7 Ų, 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane 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 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide?
The CAS number of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide is 50982-79-1.
What is the molecular formula of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide?
The molecular formula of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide is C7H15N4+.
What is the molecular weight of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide?
The molecular weight of 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide is 155.13 g/mol.
Where can I buy 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide?
You can request a quote for 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.