![1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane structure](/static/products/876/876894-87-0.png)
1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane
TL;DR: 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane (CAS 876894-87-0) is a chemical compound with molecular formula C15H23N3O3S2 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
Also Known As: BAS 11404237, 1-{[4-(2-thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane, [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone, AP-124/43383111, 4-(azaperhydroepinylsulfonyl)piperazinyl 2-thienyl ketone
| Molecular Formula | C15H23N3O3S2 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 1.6267 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.11807 |
| Heavy Atoms | 23 |
| Complexity | 614.4021 |
Chemical Identifiers
| CAS Number | 876894-87-0 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3 |
Product Overview
1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane (CAS 876894-87-0), with molecular formula C15H23N3O3S2 and molecular weight 357.12 g/mol. IUPAC: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane
Property Insights of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane
The XLogP value of 1.6267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane. Following Lipinski's Rule of Five, 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]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-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane?
The CAS number of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane is 876894-87-0.
What is the molecular formula of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane?
The molecular formula of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane is C15H23N3O3S2.
What is the molecular weight of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane?
The molecular weight of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane is 357.12 g/mol.
Where can I buy 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane?
You can request a quote for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]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-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]sulfonyl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.