2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl
TL;DR: 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl (CAS 63186-53-8) is a chemical compound with molecular formula C20H25Cl3N2O2S and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-8-ol;dihydrochloride
Also Known As: 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl, 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-8-hydroxydibenzo(b,f)thiepin-10-yl)-, dihydrochloride, 3-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-8-ol dihydrochloride, 8-Chloro-11-[4-(2-hydroxyethyl)piperazin-1-yl]-10,11-dihydrodibenzo[b,f]thiepin-2-ol--hydrogen chloride (1/2), RefChem:388371
| Molecular Formula | C20H25Cl3N2O2S |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 4.2475 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.07022 |
| Heavy Atoms | 28 |
| Complexity | 801.01544 |
Chemical Identifiers
| CAS Number | 63186-53-8 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)O.Cl.Cl |
Product Overview
2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl (CAS 63186-53-8), with molecular formula C20H25Cl3N2O2S and molecular weight 462.07 g/mol. IUPAC: 3-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-8-ol;dihydrochloride.
Chemical Property Profile of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl
Property Insights of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl
The XLogP value of 4.2475 indicates that 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl?
The CAS number of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl is 63186-53-8.
What is the molecular formula of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl?
The molecular formula of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl is C20H25Cl3N2O2S.
What is the molecular weight of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl?
The molecular weight of 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl is 462.07 g/mol.
Where can I buy 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl?
You can request a quote for 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl 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-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-8-hydroxy-10-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.