2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol
TL;DR: 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol (CAS 843670-44-0) is a chemical compound with molecular formula C16H23N3O3S2 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]ethoxy]ethanol
Also Known As: 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol, 2-(2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}ethoxy)ethanol
| Molecular Formula | C16H23N3O3S2 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 2.6853 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.11807 |
| Heavy Atoms | 24 |
| Complexity | 718.1458 |
Chemical Identifiers
| CAS Number | 843670-44-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCCOCCO)SC)C |
Product Overview
2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol (CAS 843670-44-0), with molecular formula C16H23N3O3S2 and molecular weight 369.12 g/mol. IUPAC: 2-[2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]ethoxy]ethanol.
Chemical Property Profile of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol
Property Insights of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol
The XLogP value of 2.6853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol. Following Lipinski's Rule of Five, 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol has 2 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-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol?
The CAS number of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol is 843670-44-0.
What is the molecular formula of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol?
The molecular formula of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol is C16H23N3O3S2.
What is the molecular weight of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol?
The molecular weight of 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol is 369.12 g/mol.
Where can I buy 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol?
You can request a quote for 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)ethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.