![5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione structure](/static/products/866/866008-36-8.png)
5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione
TL;DR: 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione (CAS 866008-36-8) is a chemical compound with molecular formula C29H18F3NO3S2 and molecular weight 549.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione
Also Known As: 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione
| Molecular Formula | C29H18F3NO3S2 |
|---|---|
| Molecular Weight | 549.07 g/mol |
| LogP | 8.1844 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 549.068 |
| Heavy Atoms | 38 |
| Complexity | 1608.3636 |
Chemical Identifiers
| CAS Number | 866008-36-8 |
|---|---|
| SMILES | C1C2=C(C=CS2)C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC(=C4)C(F)(F)F)SC5N1C(=O)C6=CC=CC=C56 |
Product Overview
5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione (CAS 866008-36-8), with molecular formula C29H18F3NO3S2 and molecular weight 549.07 g/mol. IUPAC: 9-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaene-8,18-dione.
Chemical Property Profile of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione
Property Insights of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione
The XLogP value of 8.1844 indicates that 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione?
The CAS number of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione is 866008-36-8.
What is the molecular formula of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione?
The molecular formula of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione is C29H18F3NO3S2.
What is the molecular weight of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione?
The molecular weight of 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione is 549.07 g/mol.
Where can I buy 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione?
You can request a quote for 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((Z)-{3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.