![2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/573/573694-63-0.png)
2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
TL;DR: 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 573694-63-0) is a chemical compound with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
Also Known As: 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, 2-[3-(4-Ethoxy-phenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl sulfanyl]-acetamide, 2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C20H22N4O3S2 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 2.4112 |
| Topological Polar Surface Area | 90.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.11334 |
| Heavy Atoms | 29 |
| Complexity | 1121.4421 |
Chemical Identifiers
| CAS Number | 573694-63-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N)SC4=C3CCN(C4)C |
Product Overview
2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 573694-63-0), with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
Property Insights of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 2.4112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide. The TPSA of 90.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide has 1 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 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The CAS number of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 573694-63-0.
What is the molecular formula of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular formula of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is C20H22N4O3S2.
What is the molecular weight of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular weight of 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 430.11 g/mol.
Where can I buy 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
You can request a quote for 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.