![3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane structure](/static/products/2396/23964-36-5.webp)
3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane
TL;DR: 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane (CAS 23964-36-5) is a chemical compound with molecular formula C19H24N4O4S2 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis-(4-methylphenyl)sulfonyl-1,3,5,7-tetrazabicyclo[3.3.1]nonane
Also Known As: ChemDiv3_003201, IDI1_021111, BAS 02747809, 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane, 1,3,5,7-Tetraazabicyclo[3.3.1]nonane,3,7-bis[(4-methylphenyl)sulfonyl]-
| Molecular Formula | C19H24N4O4S2 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.1239 |
| Heavy Atoms | 29 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 23964-36-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CN3CN(C2)CN(C3)S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | NVLQDFUOYSUKQZ-UHFFFAOYSA-N |
Product Overview
3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane (CAS 23964-36-5), with molecular formula C19H24N4O4S2 and molecular weight 436.12 g/mol. IUPAC: 3,7-bis-(4-methylphenyl)sulfonyl-1,3,5,7-tetrazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane
Property Insights of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane. Following Lipinski's Rule of Five, 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[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-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane?
The CAS number of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane is 23964-36-5.
What is the molecular formula of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane?
The molecular formula of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane is C19H24N4O4S2.
What is the molecular weight of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane?
The molecular weight of 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane is 436.12 g/mol.
Where can I buy 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane?
You can request a quote for 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[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-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Bis-(toluene-4-sulfonyl)-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.