![2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol structure](/static/products/848/848683-40-9.png)
2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol
TL;DR: 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol (CAS 848683-40-9) is a chemical compound with molecular formula C21H32N4O2S2 and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazin-1-yl]ethanol
Also Known As: 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol, 2-{4-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}ethanol
| Molecular Formula | C21H32N4O2S2 |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 3.5491 |
| Topological Polar Surface Area | 61.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.19666 |
| Heavy Atoms | 29 |
| Complexity | 846.80896 |
Chemical Identifiers
| CAS Number | 848683-40-9 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)N4CCN(CC4)CCO |
Product Overview
2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol (CAS 848683-40-9), with molecular formula C21H32N4O2S2 and molecular weight 436.20 g/mol. IUPAC: 2-[4-(5-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol
Property Insights of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol
The XLogP value of 3.5491 indicates that 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol. Following Lipinski's Rule of Five, 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)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-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol?
The CAS number of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol is 848683-40-9.
What is the molecular formula of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol?
The molecular formula of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol is C21H32N4O2S2.
What is the molecular weight of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol?
The molecular weight of 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol is 436.20 g/mol.
Where can I buy 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol?
You can request a quote for 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.