![2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone structure](/static/products/877/877802-76-1.png)
2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone
TL;DR: 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 877802-76-1) is a chemical compound with molecular formula C22H29N5O2S3 and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(14,14-dimethyl-7-propan-2-ylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-piperidin-1-ylethanone
Also Known As: 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone, 2-{[10,10-dimethyl-5-(propan-2-ylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
| Molecular Formula | C22H29N5O2S3 |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 4.7954 |
| Topological Polar Surface Area | 72.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.14835 |
| Heavy Atoms | 32 |
| Complexity | 1163.6855 |
Chemical Identifiers
| CAS Number | 877802-76-1 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)N5CCCCC5 |
Product Overview
2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 877802-76-1), with molecular formula C22H29N5O2S3 and molecular weight 491.15 g/mol. IUPAC: 2-[(14,14-dimethyl-7-propan-2-ylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone
Property Insights of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone
The XLogP value of 4.7954 indicates that 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone 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 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone?
The CAS number of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone is 877802-76-1.
What is the molecular formula of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular formula of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone is C22H29N5O2S3.
What is the molecular weight of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular weight of 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone is 491.15 g/mol.
Where can I buy 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone?
You can request a quote for 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-(piperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.