![N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/5779/577996-82-8.webp)
N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
TL;DR: N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 577996-82-8) is a chemical compound with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2,6-dimethylphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 638-168-8, N-(2,6-DIMETHYLPHENYL)-2-((3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETAMIDE, N-(2,6-dimethylphenyl)-2-({4-ethyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide
| Molecular Formula | C22H25N3O2S2 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 4.70434 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.13882 |
| Heavy Atoms | 29 |
| Complexity | 1126.8954 |
Chemical Identifiers
| CAS Number | 577996-82-8 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC=C3C)C)SC4=C2CCCC4 |
Product Overview
N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 577996-82-8), with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
Property Insights of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 4.70434 indicates that N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The CAS number of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 577996-82-8.
What is the molecular formula of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular formula of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is C22H25N3O2S2.
What is the molecular weight of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular weight of N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 427.14 g/mol.
Where can I buy N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
You can request a quote for N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[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 N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[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.