![2-((11-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)-N-(m-tolyl)acetamide structure](/static/products/850/850751-25-6.png)
2-((11-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)-N-(m-tolyl)acetamide
TL;DR: 2-((11-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)-N-(m-tolyl)acetamide (CAS 850751-25-6) is a chemical compound with molecular formula C22H21N7OS2 and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-[(16-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]acetamide
Also Known As: 2-((11-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)-N-(m-tolyl)acetamide, N-(3-methylphenyl)-2-[(11-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]acetamide
| Molecular Formula | C22H21N7OS2 |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 4.15072 |
| Topological Polar Surface Area | 89.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.1249 |
| Heavy Atoms | 32 |
| Complexity | 1498.8276 |
Chemical Identifiers
| CAS Number | 850751-25-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)NC6=CC=CC(=C6)C |
Product Overview
2-((11-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)-N-(m-tolyl)acetamide (CAS 850751-25-6), with molecular formula C22H21N7OS2 and molecular weight 463.12 g/mol. IUPAC: N-(3-methylphenyl)-2-[(16-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]acetamide.
Chemical Property Profile of 2-((11-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)-N-(m-tolyl)acetamide
Property Insights of 2-((11-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)-N-(m-tolyl)acetamide
The XLogP value of 4.15072 indicates that 2-((11-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)-N-(m-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((11-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)-N-(m-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((11-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)-N-(m-tolyl)acetamide has 1 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-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)-N-(m-tolyl)acetamide?
The CAS number of 2-((11-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)-N-(m-tolyl)acetamide is 850751-25-6.
What is the molecular formula of 2-((11-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)-N-(m-tolyl)acetamide?
The molecular formula of 2-((11-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)-N-(m-tolyl)acetamide is C22H21N7OS2.
What is the molecular weight of 2-((11-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)-N-(m-tolyl)acetamide?
The molecular weight of 2-((11-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)-N-(m-tolyl)acetamide is 463.12 g/mol.
Where can I buy 2-((11-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)-N-(m-tolyl)acetamide?
You can request a quote for 2-((11-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)-N-(m-tolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((11-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)-N-(m-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((11-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)-N-(m-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.