![8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol structure](/static/products/1606/160662-59-9.webp)
8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol
TL;DR: 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol (CAS 160662-59-9) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AU-059/43519072, 8-thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol, 5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one, 5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol, 8-thia-4,6,11-triazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 160662-59-9 |
|---|---|
| SMILES | C1CNCC2=C1C3=C(S2)N=CNC3=O |
| InChIKey | NNKMHJABJHDORH-UHFFFAOYSA-N |
Product Overview
8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol (CAS 160662-59-9), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol
Property Insights of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol. Following Lipinski's Rule of Five, 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol 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 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol?
The CAS number of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol is 160662-59-9.
What is the molecular formula of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol?
The molecular formula of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol is C9H9N3OS.
What is the molecular weight of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol?
The molecular weight of 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol is 207.05 g/mol.
Where can I buy 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol?
You can request a quote for 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 8-Thia-4,6,11-triazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.