![2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone structure](/static/products/844/844450-56-2.png)
2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone
TL;DR: 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone (CAS 844450-56-2) is a chemical compound with molecular formula C20H27N3O3S3 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12,12-dimethyl-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-morpholin-4-ylethanone
Also Known As: 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone, 2-{[6,6-dimethyl-2-(propan-2-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
| Molecular Formula | C20H27N3O3S3 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.994 |
| Topological Polar Surface Area | 64.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.12146 |
| Heavy Atoms | 29 |
| Complexity | 907.24384 |
Chemical Identifiers
| CAS Number | 844450-56-2 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)N4CCOCC4 |
Product Overview
2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone (CAS 844450-56-2), with molecular formula C20H27N3O3S3 and molecular weight 453.12 g/mol. IUPAC: 2-[(12,12-dimethyl-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone
Property Insights of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone
The XLogP value of 3.994 indicates that 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone 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-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone?
The CAS number of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone is 844450-56-2.
What is the molecular formula of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone?
The molecular formula of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone is C20H27N3O3S3.
What is the molecular weight of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone?
The molecular weight of 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone is 453.12 g/mol.
Where can I buy 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone?
You can request a quote for 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.