![1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone structure](/static/products/862/862115-90-0.png)
1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone
TL;DR: 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone (CAS 862115-90-0) is a chemical compound with molecular formula C21H25N7OS2 and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperidin-1-yl)-2-[(15-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone, 2-((12-methyl-10,11,12,13-tetrahydrobenzo[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
| Molecular Formula | C21H25N7OS2 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 3.4621 |
| Topological Polar Surface Area | 80.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.1562 |
| Heavy Atoms | 31 |
| Complexity | 1297.7653 |
Chemical Identifiers
| CAS Number | 862115-90-0 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCC(C5)C)C6=NC=NN63 |
Product Overview
1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone (CAS 862115-90-0), with molecular formula C21H25N7OS2 and molecular weight 455.16 g/mol. IUPAC: 1-(4-methylpiperidin-1-yl)-2-[(15-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone
Property Insights of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone
The XLogP value of 3.4621 indicates that 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]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 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone?
The CAS number of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone is 862115-90-0.
What is the molecular formula of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone?
The molecular formula of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone is C21H25N7OS2.
What is the molecular weight of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone?
The molecular weight of 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone is 455.16 g/mol.
Where can I buy 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone?
You can request a quote for 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]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-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.