![2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol structure](/static/products/862/862185-94-2.png)
2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol
TL;DR: 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol (CAS 862185-94-2) is a chemical compound with molecular formula C17H25N3O2S2 and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]butan-1-ol
Also Known As: 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol, 2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}butan-1-ol
| Molecular Formula | C17H25N3O2S2 |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.8374 |
| Topological Polar Surface Area | 67.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.13882 |
| Heavy Atoms | 24 |
| Complexity | 730.1842 |
Chemical Identifiers
| CAS Number | 862185-94-2 |
|---|---|
| SMILES | CCC(CO)NC1=C2C3=C(COC(C3)(C)CC)SC2=NC(=N1)SC |
Product Overview
2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol (CAS 862185-94-2), with molecular formula C17H25N3O2S2 and molecular weight 367.14 g/mol. IUPAC: 2-[(12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]butan-1-ol.
Chemical Property Profile of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol
Property Insights of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol
The XLogP value of 3.8374 indicates that 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol. Following Lipinski's Rule of Five, 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol has 2 hydrogen bond donor(s) and 7 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-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol?
The CAS number of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol is 862185-94-2.
What is the molecular formula of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol?
The molecular formula of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol is C17H25N3O2S2.
What is the molecular weight of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol?
The molecular weight of 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol is 367.14 g/mol.
Where can I buy 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol?
You can request a quote for 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)amino)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.