![8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione structure](/static/products/868/868237-59-6.png)
8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
TL;DR: 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 868237-59-6) is a chemical compound with molecular formula C16H13N3O5S2 and molecular weight 391.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethyl-11-(4-nitrophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 2,2-dimethyl-5-(4-nitrophenyl)-8,12-dithia-5,10-diazatricyclo[7.3.0.0<3,7>]dod ec-1(9)-ene-4,6,11-trione, 8,8-dimethyl-6-(4-nitrophenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
| Molecular Formula | C16H13N3O5S2 |
|---|---|
| Molecular Weight | 391.03 g/mol |
| LogP | 2.2861 |
| Topological Polar Surface Area | 113.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.02966 |
| Heavy Atoms | 26 |
| Complexity | 1007.6377 |
Chemical Identifiers
| CAS Number | 868237-59-6 |
|---|---|
| SMILES | CC1(C2C(C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SC4=C1SC(=O)N4)C |
Product Overview
8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 868237-59-6), with molecular formula C16H13N3O5S2 and molecular weight 391.03 g/mol. IUPAC: 8,8-dimethyl-11-(4-nitrophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Property Insights of 8,8-dimethyl-6-(4-nitrophenyl)-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 2.2861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione. The TPSA of 113.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8-dimethyl-6-(4-nitrophenyl)-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, 8,8-dimethyl-6-(4-nitrophenyl)-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 7 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 8,8-dimethyl-6-(4-nitrophenyl)-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 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 868237-59-6.
What is the molecular formula of 8,8-dimethyl-6-(4-nitrophenyl)-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 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is C16H13N3O5S2.
What is the molecular weight of 8,8-dimethyl-6-(4-nitrophenyl)-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 8,8-dimethyl-6-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 391.03 g/mol.
Where can I buy 8,8-dimethyl-6-(4-nitrophenyl)-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 8,8-dimethyl-6-(4-nitrophenyl)-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 8,8-dimethyl-6-(4-nitrophenyl)-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 8,8-dimethyl-6-(4-nitrophenyl)-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.