![7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine structure](/static/products/848/848922-97-4.png)
7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
TL;DR: 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine (CAS 848922-97-4) is a chemical compound with molecular formula C18H12Cl2N6S2 and molecular weight 445.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-18-thia-2,4,5,7,8,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene
Also Known As: 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine, 7-[(2,6-dichlorobenzyl)sulfanyl]-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C18H12Cl2N6S2 |
|---|---|
| Molecular Weight | 445.99 g/mol |
| LogP | 5.0745 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.9942 |
| Heavy Atoms | 28 |
| Complexity | 1365.5319 |
Chemical Identifiers
| CAS Number | 848922-97-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC6=C(C=CC=C6Cl)Cl |
Product Overview
7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine (CAS 848922-97-4), with molecular formula C18H12Cl2N6S2 and molecular weight 445.99 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-18-thia-2,4,5,7,8,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene.
Chemical Property Profile of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
Property Insights of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
The XLogP value of 5.0745 indicates that 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine. Following Lipinski's Rule of Five, 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine 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 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
The CAS number of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is 848922-97-4.
What is the molecular formula of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
The molecular formula of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is C18H12Cl2N6S2.
What is the molecular weight of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
The molecular weight of 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is 445.99 g/mol.
Where can I buy 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
You can request a quote for 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-((2,6-dichlorobenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.