![3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/799/799807-46-8.png)
3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799807-46-8) is a chemical compound with molecular formula C17H22N4O2S3 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2-diethoxyethylsulfanyl)-7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene
Also Known As: 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-[(2,2-diethoxyethyl)sulfanyl]-5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C17H22N4O2S3 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 4.0408 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.09048 |
| Heavy Atoms | 26 |
| Complexity | 917.8922 |
Chemical Identifiers
| CAS Number | 799807-46-8 |
|---|---|
| SMILES | CCOC(CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCC4)SC)OCC |
Product Overview
3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 799807-46-8), with molecular formula C17H22N4O2S3 and molecular weight 410.09 g/mol. IUPAC: 5-(2,2-diethoxyethylsulfanyl)-7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaene.
Chemical Property Profile of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 4.0408 indicates that 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[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. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 8 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 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 799807-46-8.
What is the molecular formula of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C17H22N4O2S3.
What is the molecular weight of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 410.09 g/mol.
Where can I buy 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[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-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,2-diethoxyethyl)thio)-5-(methylthio)-9,10-dihydro-8H-cyclopenta[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.