1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane
TL;DR: 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane (CAS 825607-71-4) is a chemical compound with molecular formula C19H31N3O4S2 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane
Also Known As: ASN 10303903, 1-((4-(mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane, VU0508629-1, AP-124/43238019, 1-{[4-(mesitylsulfonyl)-1-piperazinyl]sulfonyl}azepane
| Molecular Formula | C19H31N3O4S2 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 2.03896 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.1756 |
| Heavy Atoms | 28 |
| Complexity | 889.4923 |
Chemical Identifiers
| CAS Number | 825607-71-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C |
Product Overview
1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane (CAS 825607-71-4), with molecular formula C19H31N3O4S2 and molecular weight 429.18 g/mol. IUPAC: 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylazepane.
Chemical Property Profile of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane
Property Insights of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane
The XLogP value of 2.03896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane. Following Lipinski's Rule of Five, 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane has 0 hydrogen bond donor(s) and 4 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-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane?
The CAS number of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane is 825607-71-4.
What is the molecular formula of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane?
The molecular formula of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane is C19H31N3O4S2.
What is the molecular weight of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane?
The molecular weight of 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane is 429.18 g/mol.
Where can I buy 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane?
You can request a quote for 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.