![ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate structure](/static/products/308/308290-09-7.png)
ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate
TL;DR: ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate (CAS 308290-09-7) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(12,12-dimethyl-5-methylsulfanyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetate
Also Known As: ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate, ethyl 2-(6,6-dimethyl-2-(methylthio)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)acetate
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 308290-09-7 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C1SC)SC3=C2CC(OC3)(C)C |
| InChIKey | IZLOJFXJGRVJBH-UHFFFAOYSA-N |
Product Overview
ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate (CAS 308290-09-7), with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol. IUPAC: ethyl 2-(12,12-dimethyl-5-methylsulfanyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)acetate.
Chemical Property Profile of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate
Property Insights of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate. Following Lipinski's Rule of Five, ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate has 0 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 ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate?
The CAS number of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate is 308290-09-7.
What is the molecular formula of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate?
The molecular formula of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate is C16H20N2O4S2.
What is the molecular weight of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate?
The molecular weight of ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate is 368.09 g/mol.
Where can I buy ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate?
You can request a quote for ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [6,6-dimethyl-2-(methylsulfanyl)-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.