3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride (CAS 120465-85-2) is a chemical compound with molecular formula C20H30ClF3N2O2S and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-9,9-dimethyl-7-[3-(trifluoromethyl)phenyl]sulfonyl-3,7-diazabicyclo[3.3.1]nonane;hydrochloride
Also Known As: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride, 3-Butyl-9,9-dimethyl-7-[3-(trifluoromethyl)benzene-1-sulfonyl]-3,7-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/1), 7-butyl-9,9-dimethyl-3-[3-(trifluoromethyl)phenyl]sulfonyl-3,7-diazabicyclo[3.3.1]nonane hydrochloride, RefChem:272531
| Molecular Formula | C20H30ClF3N2O2S |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 4.5058 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.16687 |
| Heavy Atoms | 29 |
| Complexity | 796.1895 |
Chemical Identifiers
| CAS Number | 120465-85-2 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F.Cl |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride (CAS 120465-85-2), with molecular formula C20H30ClF3N2O2S and molecular weight 454.17 g/mol. IUPAC: 3-butyl-9,9-dimethyl-7-[3-(trifluoromethyl)phenyl]sulfonyl-3,7-diazabicyclo[3.3.1]nonane;hydrochloride.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride
The XLogP value of 4.5058 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride 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 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride is 120465-85-2.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride is C20H30ClF3N2O2S.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride is 454.17 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((3-(trifluoromethyl)phenyl)sulfonyl)-,monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.