![1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone structure](/static/products/799/799802-91-8.png)
1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
TL;DR: 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone (CAS 799802-91-8) is a chemical compound with molecular formula C25H18Cl2N4OS2 and molecular weight 524.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[7-(2-chlorophenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-{[5-(2-chlorophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
| Molecular Formula | C25H18Cl2N4OS2 |
|---|---|
| Molecular Weight | 524.03 g/mol |
| LogP | 7.1666 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.0299 |
| Heavy Atoms | 34 |
| Complexity | 1559.2921 |
Chemical Identifiers
| CAS Number | 799802-91-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl |
Product Overview
1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone (CAS 799802-91-8), with molecular formula C25H18Cl2N4OS2 and molecular weight 524.03 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[7-(2-chlorophenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
Property Insights of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone
The XLogP value of 7.1666 indicates that 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone 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-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
The CAS number of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is 799802-91-8.
What is the molecular formula of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is C25H18Cl2N4OS2.
What is the molecular weight of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone is 524.03 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-((5-(2-chlorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.