![2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide structure](/static/products/903/903186-75-4.png)
2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide
TL;DR: 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide (CAS 903186-75-4) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
Also Known As: 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide, 2-(1-ethyl-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl)-N-(2-phenylethyl)acetamide, 2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-phenethylacetamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 2.4823 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 1157.9897 |
Chemical Identifiers
| CAS Number | 903186-75-4 |
|---|---|
| SMILES | CCN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CC(=O)NCCC4=CC=CC=C4 |
Product Overview
2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide (CAS 903186-75-4), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: 2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide
Property Insights of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide
The XLogP value of 2.4823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide has 1 hydrogen bond donor(s) and 4 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-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide?
The CAS number of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide is 903186-75-4.
What is the molecular formula of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide?
The molecular formula of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide is C22H25N3O3S.
What is the molecular weight of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide?
The molecular weight of 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide is 411.16 g/mol.
Where can I buy 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide?
You can request a quote for 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-ethyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.