![11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine structure](/static/products/862/862484-75-1.png)
11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
TL;DR: 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine (CAS 862484-75-1) is a chemical compound with molecular formula C17H18N6S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methyl-3-(2-methylprop-2-enylsulfanyl)-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)-hexaene
Also Known As: 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine, 11-methyl-7-[(2-methylprop-2-en-1-yl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C17H18N6S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.7797 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.10342 |
| Heavy Atoms | 25 |
| Complexity | 1134.7858 |
Chemical Identifiers
| CAS Number | 862484-75-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=C)C |
Product Overview
11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine (CAS 862484-75-1), with molecular formula C17H18N6S2 and molecular weight 370.10 g/mol. IUPAC: 16-methyl-3-(2-methylprop-2-enylsulfanyl)-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)-hexaene.
Chemical Property Profile of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
Property Insights of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
The XLogP value of 3.7797 indicates that 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[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 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine. Following Lipinski's Rule of Five, 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
The CAS number of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is 862484-75-1.
What is the molecular formula of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
The molecular formula of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is C17H18N6S2.
What is the molecular weight of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
The molecular weight of 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine is 370.10 g/mol.
Where can I buy 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine?
You can request a quote for 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[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 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[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 11-methyl-7-((2-methylallyl)thio)-10,11,12,13-tetrahydrobenzo[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.