3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
TL;DR: 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane (CAS 120465-97-6) is a chemical compound with molecular formula C17H26Br2N2O2S2 and molecular weight 511.98026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-7-(4,5-dibromothiophen-2-yl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-, 3-Butyl-7-(4,5-dibromothiophene-2-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 7-butyl-3-(4,5-dibromothiophen-2-yl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Technical Specifications
| Molecular Formula | C17H26Br2N2O2S2 |
| Molecular Weight | 511.98026 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 77.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.98026 Da |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=C(S3)Br)Br |
| InChIKey | PCTRGNZMGSLVKE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
Property Insights of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
The XLogP value of 5.3 indicates that 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane. Following Lipinski's Rule of Five, 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The CAS number of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is 120465-97-6.
What is the molecular formula of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The molecular formula of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is C17H26Br2N2O2S2.
What is the molecular weight of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The molecular weight of 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is 511.98026 g/mol.
Where can I buy 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
You can request a quote for 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butyl-7-((4,5-dibromo-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
Yes, CoreyChem provides custom synthesis services for 3-Butyl-7-((4,5-dibromo-2-thienyl)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.