1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane
TL;DR: 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane (CAS 52601-74-8) is a chemical compound with molecular formula C45H55N5O10S5 and molecular weight 985.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7,10,13-pentakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane
Also Known As: pentaaza-15-crown-5, n,n',n'',n''',n''''-pentatosylamide, 1,4,7,10,13-pentakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane, 1,4,7,10,13-penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane
| Molecular Formula | C45H55N5O10S5 |
|---|---|
| Molecular Weight | 985.26 g/mol |
| LogP | 4.9966 |
| Topological Polar Surface Area | 186.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 985.25525 |
| Heavy Atoms | 65 |
| Complexity | 2503.4314 |
Chemical Identifiers
| CAS Number | 52601-74-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C |
Product Overview
1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane (CAS 52601-74-8), with molecular formula C45H55N5O10S5 and molecular weight 985.26 g/mol. IUPAC: 1,4,7,10,13-pentakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclopentadecane.
Chemical Property Profile of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane
Property Insights of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane
The XLogP value of 4.9966 indicates that 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.9 Ų indicates high polarity, suggesting 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane?
The CAS number of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane is 52601-74-8.
What is the molecular formula of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane?
The molecular formula of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane is C45H55N5O10S5.
What is the molecular weight of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane?
The molecular weight of 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane is 985.26 g/mol.
Where can I buy 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane?
You can request a quote for 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13-Penta(p-toluenesulfonyl)-1,4,7,10,13-pentaazacyclopentadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.