![2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide structure](/static/products/497/497941-91-0.png)
2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide
TL;DR: 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide (CAS 497941-91-0) is a chemical compound with molecular formula C28H27N5O3S2 and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide, 2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C28H27N5O3S2 |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 4.9305 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.1555 |
| Heavy Atoms | 38 |
| Complexity | 1690.3846 |
Chemical Identifiers
| CAS Number | 497941-91-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)NC5=CC=CC=C5)CCC6=CC=CC=C6)C |
Product Overview
2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide (CAS 497941-91-0), with molecular formula C28H27N5O3S2 and molecular weight 545.16 g/mol. IUPAC: 2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide
Property Insights of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide
The XLogP value of 4.9305 indicates that 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide?
The CAS number of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide is 497941-91-0.
What is the molecular formula of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide is C28H27N5O3S2.
What is the molecular weight of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide is 545.16 g/mol.
Where can I buy 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,9-tetrahydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.