![ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate structure](/static/products/799/799778-92-0.png)
ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
TL;DR: ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate (CAS 799778-92-0) is a chemical compound with molecular formula C21H23N5O2S2 and molecular weight 441.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[8-(2-methylpropyl)-11-thia-9,14,15,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-16-yl]sulfanyl]acetate
Also Known As: ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate, ethyl 2-((10-isobutyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetate
| Molecular Formula | C21H23N5O2S2 |
|---|---|
| Molecular Weight | 441.13 g/mol |
| LogP | 4.2296 |
| Topological Polar Surface Area | 82.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.1293 |
| Heavy Atoms | 30 |
| Complexity | 1277.3466 |
Chemical Identifiers
| CAS Number | 799778-92-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C=NC3=C2SC4=C3C5=C(CCC5)C(=N4)CC(C)C |
Product Overview
ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate (CAS 799778-92-0), with molecular formula C21H23N5O2S2 and molecular weight 441.13 g/mol. IUPAC: ethyl 2-[[8-(2-methylpropyl)-11-thia-9,14,15,17,19-pentazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-16-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Property Insights of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
The XLogP value of 4.2296 indicates that ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate 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 ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate?
The CAS number of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate is 799778-92-0.
What is the molecular formula of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate?
The molecular formula of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate is C21H23N5O2S2.
What is the molecular weight of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate?
The molecular weight of ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate is 441.13 g/mol.
Where can I buy ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate?
You can request a quote for ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[10-(2-methylpropyl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.