(E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate
TL;DR: (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate (CAS 524934-79-0) is a chemical compound with molecular formula C15H4ClF9N2O2S and molecular weight 481.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dioxoisoindol-2-yl)sulfanyl-N-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]methanimidoyl chloride
Also Known As: (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate, 1-(1,3-dioxoisoindol-2-yl)sulfanyl-N-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]methanimidoyl chloride, 2-[(CHLORO{[3,3,4,4,5,5-HEXAFLUORO-2-(TRIFLUOROMETHYL)-1-CYCLOPENTENYL]IMINO}METHYL)SULFANYL]-1,3-DIOXOISOINDOLINE, 2-{[(Z)-chloro{[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl]imino}methyl]sulfanyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H4ClF9N2O2S |
|---|---|
| Molecular Weight | 481.95 g/mol |
| LogP | 5.2615 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 481.95383 |
| Heavy Atoms | 30 |
| Complexity | 984.60986 |
Chemical Identifiers
| CAS Number | 524934-79-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)SC(=NC3=C(C(C(C3(F)F)(F)F)(F)F)C(F)(F)F)Cl |
Product Overview
(E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate (CAS 524934-79-0), with molecular formula C15H4ClF9N2O2S and molecular weight 481.95 g/mol. IUPAC: 1-(1,3-dioxoisoindol-2-yl)sulfanyl-N-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]methanimidoyl chloride.
Chemical Property Profile of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate
Property Insights of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate
The XLogP value of 5.2615 indicates that (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate 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 (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate?
The CAS number of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate is 524934-79-0.
What is the molecular formula of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate?
The molecular formula of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate is C15H4ClF9N2O2S.
What is the molecular weight of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate?
The molecular weight of (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate is 481.95 g/mol.
Where can I buy (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate?
You can request a quote for (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,3-dioxoisoindolin-2-yl (3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-en-1-yl)carbonochloridoimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.