1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)
TL;DR: 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) (CAS 51350-84-6) is a chemical compound with molecular formula C16H30Cl2N8 and molecular weight 404.19705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)but-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane dichloride
Also Known As: Cosan 265, EPA Pesticide Chemical Code 106801, 1,1'-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane) chloride, 1,1'-(2-Butylene)bis(3,5,7-triaza-1-azoniaadamantane), 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H30Cl2N8 |
| Molecular Weight | 404.19705 g/mol |
| XLogP | -7.43 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.19705 Da |
| Heavy Atoms | 26 |
| Complexity | 430.0 |
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC=CC[N+]45CN6CN(C4)CN(C6)C5.[Cl-].[Cl-] |
| InChIKey | CIAONGSZNIAFDI-UHFFFAOYSA-L |
Chemical Property Profile of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)
Property Insights of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)
The XLogP value of -7.43 indicates that 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 19.4 Ų, 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)?
The CAS number of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) is 51350-84-6.
What is the molecular formula of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)?
The molecular formula of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) is C16H30Cl2N8.
What is the molecular weight of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)?
The molecular weight of 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) is 404.19705 g/mol.
Where can I buy 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)?
You can request a quote for 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride)?
Yes, CoreyChem provides custom synthesis services for 1,1-(2-Butenylene)bis(3,5,7-triaza-1-azoniaadamantane chloride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.