4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl
TL;DR: 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl (CAS 60811-16-7) is a chemical compound with molecular formula C20H24Cl2F2N2O2S and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,3-difluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride
Also Known As: 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl, 1-Piperazineethanol, 4-(7,8-difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride, 2-[4-(2,3-difluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol dihydrochloride, 2-[4-(7,8-Difluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-oxo-1lambda~5~-piperazin-1-yl]ethan-1-ol--hydrogen chloride (1/2), RefChem:233844
| Molecular Formula | C20H24Cl2F2N2O2S |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 4.1793 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.09036 |
| Heavy Atoms | 29 |
| Complexity | 851.2261 |
Chemical Identifiers
| CAS Number | 60811-16-7 |
|---|---|
| SMILES | C1C[N+](CCN1C2CC3=CC=CC=C3SC4=CC(=C(C=C24)F)F)(CCO)[O-].Cl.Cl |
Product Overview
4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl (CAS 60811-16-7), with molecular formula C20H24Cl2F2N2O2S and molecular weight 464.09 g/mol. IUPAC: 2-[4-(2,3-difluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl
Property Insights of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl
The XLogP value of 4.1793 indicates that 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl has 1 hydrogen bond donor(s) and 4 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 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl?
The CAS number of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl is 60811-16-7.
What is the molecular formula of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl?
The molecular formula of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl is C20H24Cl2F2N2O2S.
What is the molecular weight of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl?
The molecular weight of 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl is 464.09 g/mol.
Where can I buy 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl?
You can request a quote for 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.