![1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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/372/372974-24-8.png)
1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 372974-24-8) is a chemical compound with molecular formula C21H19ClN4O3S2 and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7,12,12-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl]sulfanyl}-4,7,7-trimethyl-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 | C21H19ClN4O3S2 |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.05872 |
| Heavy Atoms | 31 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 372974-24-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C)C |
| InChIKey | KKQUQJWUIKCSGG-UHFFFAOYSA-N |
Product Overview
1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 372974-24-8), with molecular formula C21H19ClN4O3S2 and molecular weight 474.06 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7,12,12-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 3.7 indicates that 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 372974-24-8.
What is the molecular formula of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 C21H19ClN4O3S2.
What is the molecular weight of 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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 474.06 g/mol.
Where can I buy 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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-chlorophenyl)-2-oxoethyl)thio)-4,7,7-trimethyl-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.