![6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one structure](/static/products/6748/674804-56-9.webp)
6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one
TL;DR: 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one (CAS 674804-56-9) is a chemical compound with molecular formula C11H6F3N3O2S and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
Also Known As: 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one, A3622/0153595, 4-hydroxy-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2(1H)-one, 7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol, 11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
| Molecular Formula | C11H6F3N3O2S |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 2.15332 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.01328 |
| Heavy Atoms | 20 |
| Complexity | 951.5776 |
Chemical Identifiers
| CAS Number | 674804-56-9 |
|---|---|
| SMILES | CC1=CC(=C2C3=C(C(=O)NC(=O)N3)SC2=N1)C(F)(F)F |
Product Overview
6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one (CAS 674804-56-9), with molecular formula C11H6F3N3O2S and molecular weight 301.01 g/mol. IUPAC: 11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione.
Chemical Property Profile of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one
Property Insights of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one
The XLogP value of 2.15332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one. Following Lipinski's Rule of Five, 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one has 2 hydrogen bond donor(s) and 4 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 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The CAS number of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one is 674804-56-9.
What is the molecular formula of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The molecular formula of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one is C11H6F3N3O2S.
What is the molecular weight of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The molecular weight of 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one is 301.01 g/mol.
Where can I buy 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one?
You can request a quote for 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.