1,7-Ditosyl-1,4,7,10-tetraazacyclododecane
TL;DR: 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane (CAS 134448-29-6) is a chemical compound with molecular formula C22H32N4O4S2 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
Also Known As: Gadobutrol Impurity 118, 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane, NCI60_028918, 1,7-bis(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane, 1,7-Bis((4-methylphenyl)sulfonyl)-1,4,7,10-tetraazacyclododecane
| Molecular Formula | C22H32N4O4S2 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.1865 |
| Heavy Atoms | 32 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 134448-29-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | OOWITPYJNRDUQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Ditosyl-1,4,7,10-tetraazacyclododecane (CAS 134448-29-6), with molecular formula C22H32N4O4S2 and molecular weight 480.19 g/mol. IUPAC: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane.
Chemical Property Profile of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane
Property Insights of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane. Following Lipinski's Rule of Five, 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane has 2 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 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane?
The CAS number of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane is 134448-29-6.
What is the molecular formula of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane?
The molecular formula of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane is C22H32N4O4S2.
What is the molecular weight of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane?
The molecular weight of 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane is 480.19 g/mol.
Where can I buy 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane?
You can request a quote for 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Ditosyl-1,4,7,10-tetraazacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.