1,4-Ditosyl-1,4-diazepane
TL;DR: 1,4-Ditosyl-1,4-diazepane (CAS 5769-35-7) is a chemical compound with molecular formula C19H24N2O4S2 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane
Also Known As: 1,4-ditosyl-1,4-diazepane, Fasudil Impurity 1, Fasudil Impurity B, Fasudil Intermediates, Fasudil Impurity 12
| Molecular Formula | C19H24N2O4S2 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.11774 |
| Heavy Atoms | 27 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 5769-35-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | ORANQSHSAIBPEC-UHFFFAOYSA-N |
Product Overview
1,4-Ditosyl-1,4-diazepane (CAS 5769-35-7), with molecular formula C19H24N2O4S2 and molecular weight 408.12 g/mol. IUPAC: 1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane.
Chemical Property Profile of 1,4-Ditosyl-1,4-diazepane
Property Insights of 1,4-Ditosyl-1,4-diazepane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Ditosyl-1,4-diazepane. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Ditosyl-1,4-diazepane. Following Lipinski's Rule of Five, 1,4-Ditosyl-1,4-diazepane 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 1,4-Ditosyl-1,4-diazepane?
The CAS number of 1,4-Ditosyl-1,4-diazepane is 5769-35-7.
What is the molecular formula of 1,4-Ditosyl-1,4-diazepane?
The molecular formula of 1,4-Ditosyl-1,4-diazepane is C19H24N2O4S2.
What is the molecular weight of 1,4-Ditosyl-1,4-diazepane?
The molecular weight of 1,4-Ditosyl-1,4-diazepane is 408.12 g/mol.
Where can I buy 1,4-Ditosyl-1,4-diazepane?
You can request a quote for 1,4-Ditosyl-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Ditosyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Ditosyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.