1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane
TL;DR: 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (CAS 112193-80-3) is a chemical compound with molecular formula C36H44N4O6S3 and molecular weight 724.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
Also Known As: 1-Benzyl-4,7,10-tritosyl-1,4,7,10-tetraazacyclododecane, BAS 00104327, 1-BENZYL-4,7,10-TRIS(4-METHYLBENZENESULFONYL)-1,4,7,10-TETRAAZACYCLODODECANE, 1-Benzyl-4,7,10-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane, 1-benzyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
| Molecular Formula | C36H44N4O6S3 |
|---|---|
| Molecular Weight | 724.24 g/mol |
| LogP | 4.50016 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 724.2423 |
| Heavy Atoms | 49 |
| Complexity | 1931.1595 |
Chemical Identifiers
| CAS Number | 112193-80-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5 |
Product Overview
1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane (CAS 112193-80-3), with molecular formula C36H44N4O6S3 and molecular weight 724.24 g/mol. IUPAC: 1-benzyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane.
Chemical Property Profile of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane
Property Insights of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane
The XLogP value of 4.50016 indicates that 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane. Following Lipinski's Rule of Five, 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane?
The CAS number of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane is 112193-80-3.
What is the molecular formula of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane?
The molecular formula of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane is C36H44N4O6S3.
What is the molecular weight of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane?
The molecular weight of 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane is 724.24 g/mol.
Where can I buy 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane?
You can request a quote for 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4,7,10-tris-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-cyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.