![2-(ethyl(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)amino)ethanol structure](/static/products/845/845666-76-4.png)
2-(ethyl(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)amino)ethanol
TL;DR: 2-(ethyl(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)amino)ethanol (CAS 845666-76-4) is a chemical compound with molecular formula C22H30N4O2S2 and molecular weight 446.18 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)-ethylamino]ethanol
Also Known As: 2-(ethyl(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)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](ethyl)amino}ethanol
| Molecular Formula | C22H30N4O2S2 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 4.7547 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.18103 |
| Heavy Atoms | 30 |
| Complexity | 1094.1064 |
Chemical Identifiers
| CAS Number | 845666-76-4 |
|---|---|
| SMILES | CCN(CCO)C1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)C(C)C)SC |
Product Overview
2-(ethyl(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)amino)ethanol (CAS 845666-76-4), with molecular formula C22H30N4O2S2 and molecular weight 446.18 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)-ethylamino]ethanol.
Chemical Property Profile of 2-(ethyl(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)amino)ethanol
Property Insights of 2-(ethyl(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)amino)ethanol
The XLogP value of 4.7547 indicates that 2-(ethyl(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)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-(ethyl(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)amino)ethanol. Following Lipinski's Rule of Five, 2-(ethyl(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)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-(ethyl(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)amino)ethanol?
The CAS number of 2-(ethyl(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)amino)ethanol is 845666-76-4.
What is the molecular formula of 2-(ethyl(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)amino)ethanol?
The molecular formula of 2-(ethyl(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)amino)ethanol is C22H30N4O2S2.
What is the molecular weight of 2-(ethyl(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)amino)ethanol?
The molecular weight of 2-(ethyl(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)amino)ethanol is 446.18 g/mol.
Where can I buy 2-(ethyl(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)amino)ethanol?
You can request a quote for 2-(ethyl(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)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-(ethyl(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)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethyl(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)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.