![ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate structure](/static/products/848/848740-53-4.png)
ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
TL;DR: ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CAS 848740-53-4) is a chemical compound with molecular formula C20H28N4O3S2 and molecular weight 436.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-ethylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazine-1-carboxylate
Also Known As: ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate, ethyl 4-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
| Molecular Formula | C20H28N4O3S2 |
|---|---|
| Molecular Weight | 436.16 g/mol |
| LogP | 3.9331 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.16028 |
| Heavy Atoms | 29 |
| Complexity | 906.75366 |
Chemical Identifiers
| CAS Number | 848740-53-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=C3C4=C(COC(C4)(C)C)SC3=NC(=N2)SCC |
Product Overview
ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CAS 848740-53-4), with molecular formula C20H28N4O3S2 and molecular weight 436.16 g/mol. IUPAC: ethyl 4-(5-ethylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
Property Insights of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
The XLogP value of 3.9331 indicates that ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate has 0 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 ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is 848740-53-4.
What is the molecular formula of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is C20H28N4O3S2.
What is the molecular weight of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is 436.16 g/mol.
Where can I buy ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.