Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-
TL;DR: Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- (CAS 77795-68-7) is a chemical compound with molecular formula C25H23ClF2N2S and molecular weight 456.12 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-[(4-fluorophenyl)methyl]piperazine
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-, 2-Chloro-7-fluoro-11-[4-(4-fluorobenzyl)piperazino]-10,11-dihydrodibenzo[b,f]thiepin, 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-fluorophenyl)methyl]piperazine, 1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]piperazine
| Molecular Formula | C25H23ClF2N2S |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 6.1844 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.12384 |
| Heavy Atoms | 31 |
| Complexity | 1081.3801 |
Chemical Identifiers
| CAS Number | 77795-68-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)F)C3CC4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)Cl |
Product Overview
Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- (CAS 77795-68-7), with molecular formula C25H23ClF2N2S and molecular weight 456.12 g/mol. IUPAC: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-fluorophenyl)methyl]piperazine.
Chemical Property Profile of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-
Property Insights of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-
The XLogP value of 6.1844 indicates that Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-?
The CAS number of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- is 77795-68-7.
What is the molecular formula of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-?
The molecular formula of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- is C25H23ClF2N2S.
What is the molecular weight of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-?
The molecular weight of Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- is 456.12 g/mol.
Where can I buy Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-?
You can request a quote for Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-((4-fluorophenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.