1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine
TL;DR: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine (CAS 101040-88-4) is a chemical compound with molecular formula C23H33ClN2O6S4 and molecular weight 596.09 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-methylsulfanylethyl)piperazine;methanesulfonic acid
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)-, bis(methanesulfonate), monohydrate, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine,methanesulfonic acid, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine; methanesulfonic acid
| Molecular Formula | C23H33ClN2O6S4 |
|---|---|
| Molecular Weight | 596.09 g/mol |
| LogP | 4.077 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 596.091 |
| Heavy Atoms | 36 |
| Complexity | 1156.8347 |
Chemical Identifiers
| CAS Number | 101040-88-4 |
|---|---|
| SMILES | CSCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine (CAS 101040-88-4), with molecular formula C23H33ClN2O6S4 and molecular weight 596.09 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine;methanesulfonic acid.
Chemical Property Profile of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine
Property Insights of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine
The XLogP value of 4.077 indicates that 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine. Following Lipinski's Rule of Five, 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine?
The CAS number of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine is 101040-88-4.
What is the molecular formula of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine?
The molecular formula of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine is C23H33ClN2O6S4.
What is the molecular weight of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine?
The molecular weight of 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine is 596.09 g/mol.
Where can I buy 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine?
You can request a quote for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(methylthio)ethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.