![1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one structure](/static/products/3510/351004-60-9.webp)
1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
TL;DR: 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 351004-60-9) is a chemical compound with molecular formula C24H18Cl2N4OS2 and molecular weight 512.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-7-(4-methylphenyl)-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one
Also Known As: 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 1-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C24H18Cl2N4OS2 |
|---|---|
| Molecular Weight | 512.03 g/mol |
| LogP | 6.49112 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.0299 |
| Heavy Atoms | 33 |
| Complexity | 1601.619 |
Chemical Identifiers
| CAS Number | 351004-60-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC(=C(C=C5)Cl)Cl)SC6=C3CCC6 |
Product Overview
1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one (CAS 351004-60-9), with molecular formula C24H18Cl2N4OS2 and molecular weight 512.03 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-7-(4-methylphenyl)-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,5,10(14)-tetraen-8-one.
Chemical Property Profile of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
Property Insights of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one
The XLogP value of 6.49112 indicates that 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The CAS number of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 351004-60-9.
What is the molecular formula of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular formula of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is C24H18Cl2N4OS2.
What is the molecular weight of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
The molecular weight of 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one is 512.03 g/mol.
Where can I buy 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
You can request a quote for 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.