![2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin structure](/static/products/777/77795-73-4.png)
2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin
TL;DR: 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin (CAS 77795-73-4) is a chemical compound with molecular formula C26H25ClF2N2OS and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
Also Known As: 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin, 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine, 1-{6-chloro-14-fluoro-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-yl}-4-[2-(4-fluorophenoxy)ethyl]piperazine, 2-Chloro-7-fluoro-11-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin
| Molecular Formula | C26H25ClF2N2OS |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 6.0632 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.13443 |
| Heavy Atoms | 33 |
| Complexity | 1119.7748 |
Chemical Identifiers
| CAS Number | 77795-73-4 |
|---|---|
| SMILES | C1CN(CCN1CCOC2=CC=C(C=C2)F)C3CC4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)Cl |
Product Overview
2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin (CAS 77795-73-4), with molecular formula C26H25ClF2N2OS and molecular weight 486.13 g/mol. IUPAC: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine.
Chemical Property Profile of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin
Property Insights of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin
The XLogP value of 6.0632 indicates that 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin 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-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin 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-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin?
The CAS number of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin is 77795-73-4.
What is the molecular formula of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin?
The molecular formula of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin is C26H25ClF2N2OS.
What is the molecular weight of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin?
The molecular weight of 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin is 486.13 g/mol.
Where can I buy 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin?
You can request a quote for 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-7-fluoro-11-[4-[2- ethyl]piperazino]-10,11-dihydrodibenzo[b,f]thiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.