![2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide structure](/static/products/843/843626-52-8.png)
2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide
TL;DR: 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide (CAS 843626-52-8) is a chemical compound with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-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]-N-(1-phenylpropan-2-yl)acetamide
Also Known As: 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide, 2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylpropan-2-yl)acetamide
| Molecular Formula | C23H28N4O2S2 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 3.3053 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.16537 |
| Heavy Atoms | 31 |
| Complexity | 1139.9242 |
Chemical Identifiers
| CAS Number | 843626-52-8 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC(C)CC3=CC=CC=C3)SC4=C2CCN(C4)C |
Product Overview
2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide (CAS 843626-52-8), with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol. IUPAC: 2-[(4-ethyl-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]-N-(1-phenylpropan-2-yl)acetamide.
Chemical Property Profile of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide
Property Insights of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide
The XLogP value of 3.3053 indicates that 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide has 1 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 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide?
The CAS number of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide is 843626-52-8.
What is the molecular formula of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide?
The molecular formula of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide is C23H28N4O2S2.
What is the molecular weight of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide?
The molecular weight of 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide is 456.17 g/mol.
Where can I buy 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide?
You can request a quote for 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)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-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(1-phenylpropan-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.