![2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone structure](/static/products/849/849033-25-6.png)
2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
TL;DR: 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone (CAS 849033-25-6) is a chemical compound with molecular formula C19H21N7OS2 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperidin-1-yl)-2-(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)-hexaen-3-ylsulfanyl)ethanone
Also Known As: 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-(11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C19H21N7OS2 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.826 |
| Topological Polar Surface Area | 80.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.1249 |
| Heavy Atoms | 29 |
| Complexity | 1248.1626 |
Chemical Identifiers
| CAS Number | 849033-25-6 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCC5)C6=NC=NN63 |
Product Overview
2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone (CAS 849033-25-6), with molecular formula C19H21N7OS2 and molecular weight 427.12 g/mol. IUPAC: 1-(4-methylpiperidin-1-yl)-2-(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)-hexaen-3-ylsulfanyl)ethanone.
Chemical Property Profile of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
Property Insights of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
The XLogP value of 2.826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone. The TPSA of 80.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone 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 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
The CAS number of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone is 849033-25-6.
What is the molecular formula of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
The molecular formula of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone is C19H21N7OS2.
What is the molecular weight of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
The molecular weight of 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone is 427.12 g/mol.
Where can I buy 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
You can request a quote for 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.