![2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine structure](/static/products/862/862245-38-3.png)
2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine
TL;DR: 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine (CAS 862245-38-3) is a chemical compound with molecular formula C19H27N5S3 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[(15-methyl-7-propan-2-ylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanamine
Also Known As: 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine, N,N-dimethyl-2-{[11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanamine
| Molecular Formula | C19H27N5S3 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 4.933 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.14285 |
| Heavy Atoms | 27 |
| Complexity | 959.4575 |
Chemical Identifiers
| CAS Number | 862245-38-3 |
|---|---|
| SMILES | CC1CCCC2=C1C3=C(S2)N=C(N4C3=NN=C4SCCN(C)C)SC(C)C |
Product Overview
2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine (CAS 862245-38-3), with molecular formula C19H27N5S3 and molecular weight 421.14 g/mol. IUPAC: N,N-dimethyl-2-[(15-methyl-7-propan-2-ylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanamine.
Chemical Property Profile of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine
Property Insights of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine
The XLogP value of 4.933 indicates that 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.32 Ų, 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine 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-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine?
The CAS number of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine is 862245-38-3.
What is the molecular formula of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine?
The molecular formula of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine is C19H27N5S3.
What is the molecular weight of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine?
The molecular weight of 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine is 421.14 g/mol.
Where can I buy 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine?
You can request a quote for 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(isopropylthio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N,N-dimethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.