![5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/488/488718-47-4.png)
5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 488718-47-4) is a chemical compound with molecular formula C21H22N4OS3 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethylsulfanyl-5-[(4-methoxyphenyl)methylsulfanyl]-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: 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-(ethylthio)-3-((4-methoxybenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H22N4OS3 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 5.6307 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.09558 |
| Heavy Atoms | 29 |
| Complexity | 1166.5643 |
Chemical Identifiers
| CAS Number | 488718-47-4 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC5=CC=C(C=C5)OC |
Product Overview
5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 488718-47-4), with molecular formula C21H22N4OS3 and molecular weight 442.10 g/mol. IUPAC: 7-ethylsulfanyl-5-[(4-methoxyphenyl)methylsulfanyl]-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 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.6307 indicates that 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-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, 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-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, 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-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 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 488718-47-4.
What is the molecular formula of 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C21H22N4OS3.
What is the molecular weight of 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 442.10 g/mol.
Where can I buy 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-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 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-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 5-(ethylsulfanyl)-3-[(4-methoxybenzyl)sulfanyl]-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.