![ethyl 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)acetate structure](/static/products/488/488794-23-6.png)
ethyl 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)acetate
TL;DR: ethyl 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)acetate (CAS 488794-23-6) is a chemical compound with molecular formula C24H26N4O4S2 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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]acetate
Also Known As: ethyl 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)acetate, ethyl {[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}acetate
| Molecular Formula | C24H26N4O4S2 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 3.8549 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.13956 |
| Heavy Atoms | 34 |
| Complexity | 1422.0367 |
Chemical Identifiers
| CAS Number | 488794-23-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CCC5=CC=CC=C5 |
Product Overview
ethyl 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)acetate (CAS 488794-23-6), with molecular formula C24H26N4O4S2 and molecular weight 498.14 g/mol. IUPAC: ethyl 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]acetate.
Chemical Property Profile of ethyl 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)acetate
Property Insights of ethyl 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)acetate
The XLogP value of 3.8549 indicates that ethyl 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)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 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)acetate. Following Lipinski's Rule of Five, ethyl 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)acetate has 0 hydrogen bond donor(s) and 8 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 ethyl 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)acetate?
The CAS number of ethyl 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)acetate is 488794-23-6.
What is the molecular formula of ethyl 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)acetate?
The molecular formula of ethyl 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)acetate is C24H26N4O4S2.
What is the molecular weight of ethyl 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)acetate?
The molecular weight of ethyl 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)acetate is 498.14 g/mol.
Where can I buy ethyl 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)acetate?
You can request a quote for ethyl 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)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 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)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 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)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.