4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane
TL;DR: 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane (CAS 96563-15-4) is a chemical compound with molecular formula C15H24N2O4S and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
Also Known As: J1.322.153G, 1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]-, 4-(Toluene-4-sulfonyl)-1,7-dioxa-4,10-diaza-cyclododecane, 4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane, 4-(p-toluenesulfonyl)-1,7-dioxa-4,10-diazacyclododecane
| Molecular Formula | C15H24N2O4S |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 0.62212 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.1457 |
| Heavy Atoms | 22 |
| Complexity | 533.16583 |
Chemical Identifiers
| CAS Number | 96563-15-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCNCCOCC2 |
Product Overview
4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane (CAS 96563-15-4), with molecular formula C15H24N2O4S and molecular weight 328.15 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane.
Chemical Property Profile of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane
Property Insights of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane
The XLogP value of 0.62212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane. Following Lipinski's Rule of Five, 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane has 1 hydrogen bond donor(s) and 5 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 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane?
The CAS number of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane is 96563-15-4.
What is the molecular formula of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane?
The molecular formula of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane is C15H24N2O4S.
What is the molecular weight of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane?
The molecular weight of 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane is 328.15 g/mol.
Where can I buy 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane?
You can request a quote for 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Methylphenyl)sulfonyl)-1,7-dioxa-4,10-diazacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.