![3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane structure](/static/products/4283/42836-99-7.webp)
3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane
TL;DR: 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane (CAS 42836-99-7) is a chemical compound with molecular formula C17H20N4O4S2 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(benzenesulfonyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane
Also Known As: NCIStruc1_001983, NCIStruc2_001812, NCI60_001673, 3,7-bis(benzenesulfonyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane, 3,7-bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane
| Molecular Formula | C17H20N4O4S2 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0926 |
| Heavy Atoms | 27 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 42836-99-7 |
|---|---|
| SMILES | C1N2CN(CN1CN(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 |
| InChIKey | QQOGRSKRFUQIAI-UHFFFAOYSA-N |
Product Overview
3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane (CAS 42836-99-7), with molecular formula C17H20N4O4S2 and molecular weight 408.09 g/mol. IUPAC: 3,7-bis(benzenesulfonyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane
Property Insights of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane. Following Lipinski's Rule of Five, 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane has 0 hydrogen bond donor(s) and 8 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-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane?
The CAS number of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane is 42836-99-7.
What is the molecular formula of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane?
The molecular formula of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane is C17H20N4O4S2.
What is the molecular weight of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane?
The molecular weight of 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane is 408.09 g/mol.
Where can I buy 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane?
You can request a quote for 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[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 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.