1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-
TL;DR: 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- (CAS 99892-20-3) is a chemical compound with molecular formula C30H40N4O8S4 and molecular weight 712.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane
Also Known As: 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-, 1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane, METHANESULFONYL-4,7,10-TRIS-(TOLUENE-4-SULFONYL)-1,4,7,10-TETRAAZA-CYCLODODECANE, 1-(Methanesulfonyl)-4,7,10-tris(4-methylbenzene-1-sulfonyl)-1,4,7,10-tetraazacyclododecane
| Molecular Formula | C30H40N4O8S4 |
|---|---|
| Molecular Weight | 712.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.1729 |
| Heavy Atoms | 46 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 99892-20-3 |
|---|---|
| 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)S(=O)(=O)C |
| InChIKey | RJMQVHXXWWNHDB-UHFFFAOYSA-N |
Product Overview
1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- (CAS 99892-20-3), with molecular formula C30H40N4O8S4 and molecular weight 712.17 g/mol. IUPAC: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane.
Chemical Property Profile of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-
Property Insights of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-?
The CAS number of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- is 99892-20-3.
What is the molecular formula of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-?
The molecular formula of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- is C30H40N4O8S4.
What is the molecular weight of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-?
The molecular weight of 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- is 712.17 g/mol.
Where can I buy 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-?
You can request a quote for 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10-Tetraazacyclododecane, 1,4,7-tris((4-methylphenyl)sulfonyl)-10-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.