2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride
TL;DR: 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride (CAS 63451-72-9) is a chemical compound with molecular formula C20H25Cl3N2OS and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;dihydrochloride
Also Known As: 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride, Piperazine, 1-(2-chloro-10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dihydrochloride, 1-(2-Chloro-8-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine--hydrogen chloride (1/2), 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine dihydrochloride, RefChem:372026
| Molecular Formula | C20H25Cl3N2OS |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 5.188 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.07532 |
| Heavy Atoms | 27 |
| Complexity | 781.8173 |
Chemical Identifiers
| CAS Number | 63451-72-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)OC.Cl.Cl |
Product Overview
2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride (CAS 63451-72-9), with molecular formula C20H25Cl3N2OS and molecular weight 446.08 g/mol. IUPAC: 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;dihydrochloride.
Chemical Property Profile of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride
Property Insights of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride
The XLogP value of 5.188 indicates that 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 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 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride?
The CAS number of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride is 63451-72-9.
What is the molecular formula of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride?
The molecular formula of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride is C20H25Cl3N2OS.
What is the molecular weight of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride?
The molecular weight of 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride is 446.08 g/mol.
Where can I buy 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride?
You can request a quote for 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-8-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.