![1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride structure](/static/products/3793/37934-63-7.webp)
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride
TL;DR: 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride (CAS 37934-63-7) is a chemical compound with molecular formula C20H26Cl2N2OS2 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium;dihydrochloride
Also Known As: 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride, Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide, hydrochloride, hydrate (1:2:1), 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium dihydrochloride, 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium,dihydrochloride, 1-Methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazine--hydrogen chloride (1/2)
| Molecular Formula | C20H26Cl2N2OS2 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 5.2605 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.08636 |
| Heavy Atoms | 27 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 37934-63-7 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-].Cl.Cl |
| InChIKey | XXILBBYFOLTVCQ-UHFFFAOYSA-N |
Product Overview
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride (CAS 37934-63-7), with molecular formula C20H26Cl2N2OS2 and molecular weight 444.09 g/mol. IUPAC: 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium;dihydrochloride.
Chemical Property Profile of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride
Property Insights of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride
The XLogP value of 5.2605 indicates that 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride. Following Lipinski's Rule of Five, 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride has 2 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 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride?
The CAS number of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride is 37934-63-7.
What is the molecular formula of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride?
The molecular formula of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride is C20H26Cl2N2OS2.
What is the molecular weight of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride?
The molecular weight of 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride is 444.09 g/mol.
Where can I buy 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride?
You can request a quote for 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine 1-oxide dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.