![7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one structure](/static/products/488/488714-92-7.png)
7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
TL;DR: 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 488714-92-7) is a chemical compound with molecular formula C28H26N4O3S2 and molecular weight 530.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-3-phenacylsulfanyl-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-8-one
Also Known As: 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-4-(2-phenylethyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C28H26N4O3S2 |
|---|---|
| Molecular Weight | 530.14 g/mol |
| LogP | 5.1747 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.14465 |
| Heavy Atoms | 37 |
| Complexity | 1670.4772 |
Chemical Identifiers
| CAS Number | 488714-92-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=CC=C5)CCC6=CC=CC=C6)C |
Product Overview
7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one (CAS 488714-92-7), with molecular formula C28H26N4O3S2 and molecular weight 530.14 g/mol. IUPAC: 12,12-dimethyl-3-phenacylsulfanyl-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-8-one.
Chemical Property Profile of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
Property Insights of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one
The XLogP value of 5.1747 indicates that 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one. Following Lipinski's Rule of Five, 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one has 0 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 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The CAS number of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 488714-92-7.
What is the molecular formula of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular formula of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is C28H26N4O3S2.
What is the molecular weight of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
The molecular weight of 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one is 530.14 g/mol.
Where can I buy 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
You can request a quote for 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-phenethyl-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.