Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride
TL;DR: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride (CAS 101040-89-5) is a chemical compound with molecular formula C26H29Cl3N2S2 and molecular weight 538.0838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine;dihydrochloride
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine dihydrochloride, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine,dihydrochloride, 1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(phenylsulfanyl)ethyl]piperazine--hydrogen chloride (1/2), Piperazine,1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-,dihydrochloride
Technical Specifications
| Molecular Formula | C26H29Cl3N2S2 |
| Molecular Weight | 538.0838 g/mol |
| XLogP | 7.3419 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.0838 Da |
| Heavy Atoms | 33 |
| Complexity | 550.0 |
| SMILES | C1CN(CCN1CCSC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl.Cl |
| InChIKey | BEXUROQVQMOCQA-UHFFFAOYSA-N |
Chemical Property Profile of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride
Property Insights of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride
The XLogP value of 7.3419 indicates that Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride?
The CAS number of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride is 101040-89-5.
What is the molecular formula of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride?
The molecular formula of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride is C26H29Cl3N2S2.
What is the molecular weight of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride?
The molecular weight of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride is 538.0838 g/mol.
Where can I buy Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride?
You can request a quote for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.