![1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine structure](/static/products/1071/107165-21-9.webp)
1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
TL;DR: 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine (CAS 107165-21-9) is a chemical compound with molecular formula C20H24N2S and molecular weight 324.16602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: AE-641/30152015, 1-(6-ethyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine, 1-(1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Technical Specifications
| Molecular Formula | C20H24N2S |
| Molecular Weight | 324.16602 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.16602 Da |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
| SMILES | CCC1=C2C(=CC=C1)C(CC3=CC=CC=C3S2)N4CCNCC4 |
| InChIKey | VRWXAWXVRQECLB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Property Insights of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
The XLogP value of 4.0 indicates that 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine?
The CAS number of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is 107165-21-9.
What is the molecular formula of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine?
The molecular formula of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is C20H24N2S.
What is the molecular weight of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine?
The molecular weight of 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is 324.16602 g/mol.
Where can I buy 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine?
You can request a quote for 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-(1-Ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.