3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
TL;DR: 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane (CAS 120465-91-0) is a chemical compound with molecular formula C20H31ClN2O2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-(2-chloro-6-methylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-, 7-butyl-3-(2-chloro-6-methylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 3-Butyl-7-(2-chloro-6-methylbenzene-1-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, RefChem:272521
| Molecular Formula | C20H31ClN2O2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 4.02702 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.17947 |
| Heavy Atoms | 26 |
| Complexity | 724.8247 |
Chemical Identifiers
| CAS Number | 120465-91-0 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC=C3Cl)C |
Product Overview
3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane (CAS 120465-91-0), with molecular formula C20H31ClN2O2S and molecular weight 398.18 g/mol. IUPAC: 3-butyl-7-(2-chloro-6-methylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
Property Insights of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
The XLogP value of 4.02702 indicates that 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane 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-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane 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-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The CAS number of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is 120465-91-0.
What is the molecular formula of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The molecular formula of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is C20H31ClN2O2S.
What is the molecular weight of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The molecular weight of 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is 398.18 g/mol.
Where can I buy 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
You can request a quote for 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.