![2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol structure](/static/products/844/844461-17-2.png)
2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol
TL;DR: 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol (CAS 844461-17-2) is a chemical compound with molecular formula C21H28N4O2S2 and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,4-dimethyl-15-methylsulfanyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-methylamino]ethanol
Also Known As: 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol, 2-{[2,2-dimethyl-10-(methylsulfanyl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl](methyl)amino}ethanol
| Molecular Formula | C21H28N4O2S2 |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 4.3646 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.16537 |
| Heavy Atoms | 29 |
| Complexity | 1077.8995 |
Chemical Identifiers
| CAS Number | 844461-17-2 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC(=N4)SC)N(C)CCO |
Product Overview
2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol (CAS 844461-17-2), with molecular formula C21H28N4O2S2 and molecular weight 432.17 g/mol. IUPAC: 2-[(4,4-dimethyl-15-methylsulfanyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-methylamino]ethanol.
Chemical Property Profile of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol
Property Insights of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol
The XLogP value of 4.3646 indicates that 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol. Following Lipinski's Rule of Five, 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol has 1 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-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol?
The CAS number of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol is 844461-17-2.
What is the molecular formula of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol?
The molecular formula of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol is C21H28N4O2S2.
What is the molecular weight of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol?
The molecular weight of 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol is 432.17 g/mol.
Where can I buy 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol?
You can request a quote for 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(methyl)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.