1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane
TL;DR: 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane (CAS 71089-74-2) is a chemical compound with molecular formula C38H48N4O8S4 and molecular weight 816.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane
Also Known As: 1,4,8,11-TETRATOSYL-1,4,8,11-TETRAAZACYCLOTETRADECANE, Plerixafor Impurity 12, Plerixafor Impurity 34, ChemDiv1_018770, DivK1c_003554
| Molecular Formula | C38H48N4O8S4 |
|---|---|
| Molecular Weight | 816.24 g/mol |
| LogP | 4.77748 |
| Topological Polar Surface Area | 149.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 816.2355 |
| Heavy Atoms | 54 |
| Complexity | 1999.3602 |
Chemical Identifiers
| CAS Number | 71089-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(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 |
Product Overview
1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane (CAS 71089-74-2), with molecular formula C38H48N4O8S4 and molecular weight 816.24 g/mol. IUPAC: 1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane.
Chemical Property Profile of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane
Property Insights of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane
The XLogP value of 4.77748 indicates that 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.52 Ų indicates high polarity, suggesting 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?
The CAS number of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane is 71089-74-2.
What is the molecular formula of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?
The molecular formula of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane is C38H48N4O8S4.
What is the molecular weight of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?
The molecular weight of 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane is 816.24 g/mol.
Where can I buy 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?
You can request a quote for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.