![5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/799/799809-54-4.png)
5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799809-54-4) is a chemical compound with molecular formula C18H22N4OS2 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-14,14-dimethyl-5-(2-methylprop-2-enylsulfanyl)-13-oxa-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-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-ethyl-10,10-dimethyl-3-[(2-methylprop-2-en-1-yl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C18H22N4OS2 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.4209 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.1235 |
| Heavy Atoms | 25 |
| Complexity | 986.19244 |
Chemical Identifiers
| CAS Number | 799809-54-4 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC(=C)C |
Product Overview
5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799809-54-4), with molecular formula C18H22N4OS2 and molecular weight 374.12 g/mol. IUPAC: 7-ethyl-14,14-dimethyl-5-(2-methylprop-2-enylsulfanyl)-13-oxa-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-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 4.4209 indicates that 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':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 52.31 Ų, 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':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, 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 799809-54-4.
What is the molecular formula of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C18H22N4OS2.
What is the molecular weight of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 374.12 g/mol.
Where can I buy 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':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 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-10,10-dimethyl-3-((2-methylallyl)thio)-10,11-dihydro-8H-pyrano[4',3':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.