![11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/877/877782-22-4.png)
11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 877782-22-4) is a chemical compound with molecular formula C23H26N4S3 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-methyl-5-(2-phenylethylsulfanyl)-7-propylsulfanyl-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: 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 11-methyl-3-[(2-phenylethyl)sulfanyl]-5-(propylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C23H26N4S3 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 6.6157 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.13196 |
| Heavy Atoms | 30 |
| Complexity | 1165.8412 |
Chemical Identifiers
| CAS Number | 877782-22-4 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)CCCC3C)C4=NN=C(N41)SCCC5=CC=CC=C5 |
Product Overview
11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 877782-22-4), with molecular formula C23H26N4S3 and molecular weight 454.13 g/mol. IUPAC: 15-methyl-5-(2-phenylethylsulfanyl)-7-propylsulfanyl-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 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 6.6157 indicates that 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[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 43.08 Ų, 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[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, 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 877782-22-4.
What is the molecular formula of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C23H26N4S3.
What is the molecular weight of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 454.13 g/mol.
Where can I buy 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[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 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 11-methyl-3-(phenethylthio)-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[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.