![2-((2,12-dimethyl-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-morpholinoethanone structure](/static/products/861/861116-00-9.png)
2-((2,12-dimethyl-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-morpholinoethanone
TL;DR: 2-((2,12-dimethyl-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-morpholinoethanone (CAS 861116-00-9) is a chemical compound with molecular formula C20H23N7O2S2 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(9,15-dimethyl-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]-1-morpholin-4-ylethanone
Also Known As: 2-((2,12-dimethyl-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-morpholinoethanone, 2-[(2,12-dimethyl-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]-1-(morpholin-4-yl)ethanone
| Molecular Formula | C20H23N7O2S2 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 2.37082 |
| Topological Polar Surface Area | 89.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.13547 |
| Heavy Atoms | 31 |
| Complexity | 1318.0122 |
Chemical Identifiers
| CAS Number | 861116-00-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)N5CCOCC5)N6C3=NC(=N6)C |
Product Overview
2-((2,12-dimethyl-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-morpholinoethanone (CAS 861116-00-9), with molecular formula C20H23N7O2S2 and molecular weight 457.14 g/mol. IUPAC: 2-[(9,15-dimethyl-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]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((2,12-dimethyl-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-morpholinoethanone
Property Insights of 2-((2,12-dimethyl-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-morpholinoethanone
The XLogP value of 2.37082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,12-dimethyl-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-morpholinoethanone. The TPSA of 89.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,12-dimethyl-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-morpholinoethanone. Following Lipinski's Rule of Five, 2-((2,12-dimethyl-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-morpholinoethanone has 0 hydrogen bond donor(s) and 8 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-((2,12-dimethyl-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-morpholinoethanone?
The CAS number of 2-((2,12-dimethyl-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-morpholinoethanone is 861116-00-9.
What is the molecular formula of 2-((2,12-dimethyl-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-morpholinoethanone?
The molecular formula of 2-((2,12-dimethyl-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-morpholinoethanone is C20H23N7O2S2.
What is the molecular weight of 2-((2,12-dimethyl-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-morpholinoethanone?
The molecular weight of 2-((2,12-dimethyl-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-morpholinoethanone is 457.14 g/mol.
Where can I buy 2-((2,12-dimethyl-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-morpholinoethanone?
You can request a quote for 2-((2,12-dimethyl-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-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,12-dimethyl-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-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,12-dimethyl-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-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.