![1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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/577/577997-52-5.png)
1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 577997-52-5) is a chemical compound with molecular formula C25H20Cl2N4O2S2 and molecular weight 542.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorophenyl)-3-[(2-chlorophenyl)methylsulfanyl]-12,12-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)sulfanyl]-4-(3-chlorophenyl)-7,7-dimethyl-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 | C25H20Cl2N4O2S2 |
|---|---|
| Molecular Weight | 542.04 g/mol |
| LogP | 6.5453 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.04047 |
| Heavy Atoms | 35 |
| Complexity | 1671.8846 |
Chemical Identifiers
| CAS Number | 577997-52-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5Cl)C6=CC(=CC=C6)Cl)C |
Product Overview
1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 577997-52-5), with molecular formula C25H20Cl2N4O2S2 and molecular weight 542.04 g/mol. IUPAC: 7-(3-chlorophenyl)-3-[(2-chlorophenyl)methylsulfanyl]-12,12-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 6.5453 indicates that 1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 6 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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 577997-52-5.
What is the molecular formula of 1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 C25H20Cl2N4O2S2.
What is the molecular weight of 1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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 542.04 g/mol.
Where can I buy 1-((2-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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-chlorobenzyl)thio)-4-(3-chlorophenyl)-7,7-dimethyl-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.