![2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide structure](/static/products/849/849920-41-8.png)
2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
TL;DR: 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide (CAS 849920-41-8) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-N-(4-ethoxyphenyl)acetamide
Also Known As: 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide, 2-(6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3(6H)-yl)-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 2.7417 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 1117.9519 |
Chemical Identifiers
| CAS Number | 849920-41-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CC(OC4)(C)C |
Product Overview
2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide (CAS 849920-41-8), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: 2-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
Property Insights of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
The XLogP value of 2.7417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide 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 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
The CAS number of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide is 849920-41-8.
What is the molecular formula of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
The molecular formula of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide is C20H22N4O4S.
What is the molecular weight of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
The molecular weight of 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide is 414.14 g/mol.
Where can I buy 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
You can request a quote for 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.