Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-
TL;DR: Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- (CAS 131007-43-7) is a chemical compound with molecular formula C26H29FN2O2S and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-isothiochromen-4-one
Also Known As: Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-, 6-Cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-2-benzothiopyran-4(3H)-one, 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-isothiochromen-4-one, 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]isothiochroman-4-one, RefChem:371835
| Molecular Formula | C26H29FN2O2S |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 5.1928 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.1934 |
| Heavy Atoms | 32 |
| Complexity | 995.38654 |
Chemical Identifiers
| CAS Number | 131007-43-7 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- (CAS 131007-43-7), with molecular formula C26H29FN2O2S and molecular weight 452.19 g/mol. IUPAC: 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-isothiochromen-4-one.
Chemical Property Profile of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-
Property Insights of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-
The XLogP value of 5.1928 indicates that Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- 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 Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-?
The CAS number of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- is 131007-43-7.
What is the molecular formula of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-?
The molecular formula of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- is C26H29FN2O2S.
What is the molecular weight of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-?
The molecular weight of Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- is 452.19 g/mol.
Where can I buy Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-?
You can request a quote for Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-((6-cyclohexyl-3,4-dihydro-4-oxo-1H-2-benzothiopyran-1-yl)carbonyl)-4-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.