![8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione structure](/static/products/1005/1005262-77-0.webp)
8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
TL;DR: 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 1005262-77-0) is a chemical compound with molecular formula C22H15F3N2O4S2 and molecular weight 492.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 2-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]-8,12-dithia-5,10-diazatricyc lo[7.3.0.0<3,7>]dodec-1(9)-ene-4,6,11-trione, 8-(4-methoxyphenyl)-6-(3-(trifluoromethyl)phenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
| Molecular Formula | C22H15F3N2O4S2 |
|---|---|
| Molecular Weight | 492.04 g/mol |
| LogP | 4.2596 |
| Topological Polar Surface Area | 79.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.04254 |
| Heavy Atoms | 33 |
| Complexity | 1316.1654 |
Chemical Identifiers
| CAS Number | 1005262-77-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)SC5=C2SC(=O)N5 |
Product Overview
8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 1005262-77-0), with molecular formula C22H15F3N2O4S2 and molecular weight 492.04 g/mol. IUPAC: 8-(4-methoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Property Insights of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
The XLogP value of 4.2596 indicates that 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione. Following Lipinski's Rule of Five, 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The CAS number of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 1005262-77-0.
What is the molecular formula of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The molecular formula of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is C22H15F3N2O4S2.
What is the molecular weight of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The molecular weight of 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 492.04 g/mol.
Where can I buy 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
You can request a quote for 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.