4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane
TL;DR: 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane (CAS 60147-28-6) is a chemical compound with molecular formula C29H37N3O7S3 and molecular weight 635.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,10-tris-(4-methylphenyl)sulfonyl-1-oxa-4,7,10-triazacyclododecane
Also Known As: BAS 00104298, 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane, AF-399/32357061, 4,7,10-tris-(4-methylphenyl)sulfonyl-1-oxa-4,7,10-triazacyclododecane, 4,7,10-Tris-(toluene-4-sulfonyl)-1-oxa-4,7,10-triaza-cyclododecane
| Molecular Formula | C29H37N3O7S3 |
|---|---|
| Molecular Weight | 635.18 g/mol |
| LogP | 3.01456 |
| Topological Polar Surface Area | 121.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 635.1794 |
| Heavy Atoms | 42 |
| Complexity | 1585.0469 |
Chemical Identifiers
| CAS Number | 60147-28-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCOCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane (CAS 60147-28-6), with molecular formula C29H37N3O7S3 and molecular weight 635.18 g/mol. IUPAC: 4,7,10-tris-(4-methylphenyl)sulfonyl-1-oxa-4,7,10-triazacyclododecane.
Chemical Property Profile of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane
Property Insights of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane
The XLogP value of 3.01456 indicates that 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane. Following Lipinski's Rule of Five, 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane 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 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane?
The CAS number of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane is 60147-28-6.
What is the molecular formula of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane?
The molecular formula of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane is C29H37N3O7S3.
What is the molecular weight of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane?
The molecular weight of 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane is 635.18 g/mol.
Where can I buy 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane?
You can request a quote for 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 4,7,10-Tritosyl-1-oxa-4,7,10-triazacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.