![6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one structure](/static/products/850/850191-04-7.png)
6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one
TL;DR: 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one (CAS 850191-04-7) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-phenacyl-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one, 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4(8H)-one
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 2.5872 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 1021.21747 |
Chemical Identifiers
| CAS Number | 850191-04-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC(=O)C4=CC=CC=C4)C |
Product Overview
6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one (CAS 850191-04-7), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 12,12-dimethyl-4-phenacyl-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one
Property Insights of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one
The XLogP value of 2.5872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one. Following Lipinski's Rule of Five, 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one has 0 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 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one?
The CAS number of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one is 850191-04-7.
What is the molecular formula of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one?
The molecular formula of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one is C18H17N3O3S.
What is the molecular weight of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one?
The molecular weight of 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one is 355.10 g/mol.
Where can I buy 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one?
You can request a quote for 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dimethyl-3-(2-oxo-2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.