![ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate structure](/static/products/905/905429-77-8.png)
ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate
TL;DR: ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate (CAS 905429-77-8) is a chemical compound with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,4-dioxo-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetate
Also Known As: ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate, ethyl {2,4-dioxo-1-[2-(pyrrolidin-1-yl)ethyl]-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetate, ethyl 2-[2,4-dioxo-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetate
| Molecular Formula | C20H27N3O4S |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 1.7624 |
| Topological Polar Surface Area | 73.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.17224 |
| Heavy Atoms | 28 |
| Complexity | 997.5152 |
Chemical Identifiers
| CAS Number | 905429-77-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N(C1=O)CCN3CCCC3)SC4=C2CCCC4 |
Product Overview
ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate (CAS 905429-77-8), with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol. IUPAC: ethyl 2-[2,4-dioxo-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetate.
Chemical Property Profile of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate
Property Insights of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate
The XLogP value of 1.7624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate. The TPSA of 73.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate has 0 hydrogen bond donor(s) and 6 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 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate?
The CAS number of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate is 905429-77-8.
What is the molecular formula of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate?
The molecular formula of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate is C20H27N3O4S.
What is the molecular weight of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate?
The molecular weight of ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate is 405.17 g/mol.
Where can I buy ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate?
You can request a quote for ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-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 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2,4-dioxo-1-(2-(pyrrolidin-1-yl)ethyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.