1,5-Ditosyl-1,5-diazocane
TL;DR: 1,5-Ditosyl-1,5-diazocane (CAS 67969-88-4) is a chemical compound with molecular formula C20H26N2O4S2 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane
Also Known As: 1,5-Ditosyl-1,5-diazocane, KST-1B7347, 1,5-bis[(4-methylphenyl)sulfonyl]-1,5-diazocane, 1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane, 1,5-Bis(4-methylbenzene-1-sulfonyl)-1,5-diazocane
| Molecular Formula | C20H26N2O4S2 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1334 |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 67969-88-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | JVECPRCCIVFZKP-UHFFFAOYSA-N |
Product Overview
1,5-Ditosyl-1,5-diazocane (CAS 67969-88-4), with molecular formula C20H26N2O4S2 and molecular weight 422.13 g/mol. IUPAC: 1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane.
Chemical Property Profile of 1,5-Ditosyl-1,5-diazocane
Property Insights of 1,5-Ditosyl-1,5-diazocane
The XLogP value of 3.1 indicates that 1,5-Ditosyl-1,5-diazocane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Ditosyl-1,5-diazocane. Following Lipinski's Rule of Five, 1,5-Ditosyl-1,5-diazocane has 0 hydrogen bond donor(s) and 6 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 1,5-Ditosyl-1,5-diazocane?
The CAS number of 1,5-Ditosyl-1,5-diazocane is 67969-88-4.
What is the molecular formula of 1,5-Ditosyl-1,5-diazocane?
The molecular formula of 1,5-Ditosyl-1,5-diazocane is C20H26N2O4S2.
What is the molecular weight of 1,5-Ditosyl-1,5-diazocane?
The molecular weight of 1,5-Ditosyl-1,5-diazocane is 422.13 g/mol.
Where can I buy 1,5-Ditosyl-1,5-diazocane?
You can request a quote for 1,5-Ditosyl-1,5-diazocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Ditosyl-1,5-diazocane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Ditosyl-1,5-diazocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.