![10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/877/877795-72-7.png)
10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 877795-72-7) is a chemical compound with molecular formula C16H18N4S2 and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-7-(2-methylprop-2-enylsulfanyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 10-methyl-5-[(2-methylprop-2-en-1-yl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C16H18N4S2 |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 4.132 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0973 |
| Heavy Atoms | 22 |
| Complexity | 877.15704 |
Chemical Identifiers
| CAS Number | 877795-72-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N=C(N4C3=NC=N4)SCC(=C)C |
Product Overview
10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 877795-72-7), with molecular formula C16H18N4S2 and molecular weight 330.10 g/mol. IUPAC: 14-methyl-7-(2-methylprop-2-enylsulfanyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 4.132 indicates that 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-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, 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 5 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 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 877795-72-7.
What is the molecular formula of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C16H18N4S2.
What is the molecular weight of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 330.10 g/mol.
Where can I buy 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 10-methyl-5-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.