![1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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/840/840461-37-2.png)
1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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: 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 840461-37-2) is a chemical compound with molecular formula C28H25FN4O3S2 and molecular weight 548.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-7-(3-methylphenyl)-12-propan-2-yl-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: 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-7-(propan-2-yl)-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 | C28H25FN4O3S2 |
|---|---|
| Molecular Weight | 548.14 g/mol |
| LogP | 5.61472 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.1352 |
| Heavy Atoms | 38 |
| Complexity | 1754.4073 |
Chemical Identifiers
| CAS Number | 840461-37-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)F)SC6=C3CC(OC6)C(C)C |
Product Overview
1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 840461-37-2), with molecular formula C28H25FN4O3S2 and molecular weight 548.14 g/mol. IUPAC: 3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-7-(3-methylphenyl)-12-propan-2-yl-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 5.61472 indicates that 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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, 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 840461-37-2.
What is the molecular formula of 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 C28H25FN4O3S2.
What is the molecular weight of 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 548.14 g/mol.
Where can I buy 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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 1-((2-(4-fluorophenyl)-2-oxoethyl)thio)-7-isopropyl-4-(m-tolyl)-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.