![10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene structure](/static/products/6998/6998-66-9.webp)
10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene
TL;DR: 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene (CAS 6998-66-9) is a chemical compound with molecular formula C23H24F3N2O+ and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
Also Known As: 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene, 3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium, 3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium, 3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium, 4-ethoxy-1-{1-[3-(trifluoromethyl)phenyl](5H,6H,7H,8H,9H-imidazo[1,2-a]azaperh ydroepin-3-yl)}benzene
| Molecular Formula | C23H24F3N2O+ |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 5.5757 |
| Topological Polar Surface Area | 18.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.18408 |
| Heavy Atoms | 29 |
| Complexity | 990.34784 |
Chemical Identifiers
| CAS Number | 6998-66-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene (CAS 6998-66-9), with molecular formula C23H24F3N2O+ and molecular weight 401.18 g/mol. IUPAC: 3-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium.
Chemical Property Profile of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene
Property Insights of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene
The XLogP value of 5.5757 indicates that 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.04 Ų, 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene?
The CAS number of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene is 6998-66-9.
What is the molecular formula of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene?
The molecular formula of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene is C23H24F3N2O+.
What is the molecular weight of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene?
The molecular weight of 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene is 401.18 g/mol.
Where can I buy 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene?
You can request a quote for 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-ethoxyphenyl)-8-[3-(trifluoromethyl)phenyl]-8-aza-1-azoniabicyclo[5.3.0]deca-9,11-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.