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 538.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C26H29Cl3N2S2 |
|---|---|
| Molecular Weight | 538.08 g/mol |
| LogP | 7.3419 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.0838 |
| Heavy Atoms | 33 |
| Complexity | 1027.0554 |
Chemical Identifiers
| CAS Number | 101040-89-5 |
|---|---|
| SMILES | C1CN(CCN1CCSC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl.Cl |
Product Overview
Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride (CAS 101040-89-5), with molecular formula C26H29Cl3N2S2 and molecular weight 538.08 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylsulfanylethyl)piperazine;dihydrochloride.
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 6.48 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 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 538.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride?
Yes, KEHONG BIO 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.