![3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/488/488121-70-6.png)
3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 488121-70-6) is a chemical compound with molecular formula C21H20N4S2 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylprop-2-enylsulfanyl)-7-phenyl-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-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-[(2-methylprop-2-en-1-yl)sulfanyl]-5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H20N4S2 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 5.553 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.11295 |
| Heavy Atoms | 27 |
| Complexity | 1157.5746 |
Chemical Identifiers
| CAS Number | 488121-70-6 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5 |
Product Overview
3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 488121-70-6), with molecular formula C21H20N4S2 and molecular weight 392.11 g/mol. IUPAC: 5-(2-methylprop-2-enylsulfanyl)-7-phenyl-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-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 5.553 indicates that 3-((2-methylallyl)thio)-5-phenyl-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, 3-((2-methylallyl)thio)-5-phenyl-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, 3-((2-methylallyl)thio)-5-phenyl-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 5 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-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 488121-70-6.
What is the molecular formula of 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C21H20N4S2.
What is the molecular weight of 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 3-((2-methylallyl)thio)-5-phenyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 392.11 g/mol.
Where can I buy 3-((2-methylallyl)thio)-5-phenyl-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 3-((2-methylallyl)thio)-5-phenyl-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 3-((2-methylallyl)thio)-5-phenyl-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 3-((2-methylallyl)thio)-5-phenyl-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.