![8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione structure](/static/products/100/1005072-39-8.png)
8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
TL;DR: 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione (CAS 1005072-39-8) is a chemical compound with molecular formula C20H13N3O6S2 and molecular weight 455.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxy-5-nitrophenyl)-11-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione, 8-(2-Hydroxy-5-nitro-phenyl)-6-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2, 5,7-trione, 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
| Molecular Formula | C20H13N3O6S2 |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 2.846 |
| Topological Polar Surface Area | 133.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.02457 |
| Heavy Atoms | 31 |
| Complexity | 1301.744 |
Chemical Identifiers
| CAS Number | 1005072-39-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=C(C=CC(=C5)[N+](=O)[O-])O |
Product Overview
8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione (CAS 1005072-39-8), with molecular formula C20H13N3O6S2 and molecular weight 455.02 g/mol. IUPAC: 8-(2-hydroxy-5-nitrophenyl)-11-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-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
Property Insights of 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
The XLogP value of 2.846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione. The TPSA of 133.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione. Following Lipinski's Rule of Five, 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione has 2 hydrogen bond donor(s) and 8 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-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione?
The CAS number of 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione is 1005072-39-8.
What is the molecular formula of 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione?
The molecular formula of 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione is C20H13N3O6S2.
What is the molecular weight of 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione?
The molecular weight of 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione is 455.02 g/mol.
Where can I buy 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione?
You can request a quote for 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,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-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-hydroxy-5-nitrophenyl)-6-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.