![1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane structure](/static/products/838/838890-41-8.png)
1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane
TL;DR: 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane (CAS 838890-41-8) is a chemical compound with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepane-1-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
Also Known As: 1-{[4-(2-thienylcarbonyl)-1-piperazinyl]carbonyl}azepane, [4-(azepane-1-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone, AP-124/43382985, azaperhydroepinyl 4-(2-thienylcarbonyl)piperazinyl ketone
| Molecular Formula | C16H23N3O2S |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 2.5019 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.1511 |
| Heavy Atoms | 22 |
| Complexity | 501.4704 |
Chemical Identifiers
| CAS Number | 838890-41-8 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3 |
Product Overview
1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane (CAS 838890-41-8), with molecular formula C16H23N3O2S and molecular weight 321.15 g/mol. IUPAC: [4-(azepane-1-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane
Property Insights of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane
The XLogP value of 2.5019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane. With a topological polar surface area (TPSA) of 43.86 Ų, 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane has 0 hydrogen bond donor(s) and 3 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]carbonyl}azepane?
The CAS number of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane is 838890-41-8.
What is the molecular formula of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane?
The molecular formula of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane is C16H23N3O2S.
What is the molecular weight of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane?
The molecular weight of 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane is 321.15 g/mol.
Where can I buy 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane?
You can request a quote for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}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]carbonyl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(2-Thienylcarbonyl)-1-piperazinyl]carbonyl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.