![2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide structure](/static/products/586/586990-19-4.png)
2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 586990-19-4) is a chemical compound with molecular formula C26H24F3N5O3S and molecular weight 543.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C26H24F3N5O3S |
|---|---|
| Molecular Weight | 543.16 g/mol |
| LogP | 5.4008 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.1552 |
| Heavy Atoms | 38 |
| Complexity | 1502.7838 |
Chemical Identifiers
| CAS Number | 586990-19-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=C(C=C4)OC)SCC(=O)NC5=CC=CC(=C5)C(F)(F)F)C |
Product Overview
2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 586990-19-4), with molecular formula C26H24F3N5O3S and molecular weight 543.16 g/mol. IUPAC: 2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
The XLogP value of 5.4008 indicates that 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide 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-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is 586990-19-4.
What is the molecular formula of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is C26H24F3N5O3S.
What is the molecular weight of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is 543.16 g/mol.
Where can I buy 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.