![1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride structure](/static/products/848/848611-91-6.png)
1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride
TL;DR: 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride (CAS 848611-91-6) is a chemical compound with molecular formula C13H17Cl2FN4 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Also Known As: 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride, 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride, 1-[(2-chloro-6-fluorophenyl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride, 1-[(2-chloro-6-fluorophenyl)methyl]-1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decan-1-ium chloride
| Molecular Formula | C13H17Cl2FN4 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | -1.5083 |
| Topological Polar Surface Area | 9.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.08142 |
| Heavy Atoms | 20 |
| Complexity | 469.55844 |
Chemical Identifiers
| CAS Number | 848611-91-6 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC4=C(C=CC=C4Cl)F.[Cl-] |
Product Overview
1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride (CAS 848611-91-6), with molecular formula C13H17Cl2FN4 and molecular weight 318.08 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride.
Chemical Property Profile of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride
Property Insights of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride
The XLogP value of -1.5083 indicates that 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.72 Ų, 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride 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-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride?
The CAS number of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride is 848611-91-6.
What is the molecular formula of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride?
The molecular formula of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride is C13H17Cl2FN4.
What is the molecular weight of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride?
The molecular weight of 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride is 318.08 g/mol.
Where can I buy 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride?
You can request a quote for 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-6-fluorobenzyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.