![3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/862/862209-30-1.png)
3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 862209-30-1) is a chemical compound with molecular formula C18H24N4OS3 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methoxyethylsulfanyl)-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)-pentaene
Also Known As: 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-(isopropylthio)-3-((2-methoxyethyl)thio)-11-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C18H24N4OS3 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 5.0178 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.11124 |
| Heavy Atoms | 26 |
| Complexity | 933.69214 |
Chemical Identifiers
| CAS Number | 862209-30-1 |
|---|---|
| SMILES | CC1CCCC2=C1C3=C(S2)N=C(N4C3=NN=C4SCCOC)SC(C)C |
Product Overview
3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 862209-30-1), with molecular formula C18H24N4OS3 and molecular weight 408.11 g/mol. IUPAC: 5-(2-methoxyethylsulfanyl)-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)-pentaene.
Chemical Property Profile of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.0178 indicates that 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 862209-30-1.
What is the molecular formula of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C18H24N4OS3.
What is the molecular weight of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 408.11 g/mol.
Where can I buy 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-methoxyethyl)sulfanyl]-11-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.