![2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide structure](/static/products/799/799781-17-2.png)
2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide
TL;DR: 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 799781-17-2) is a chemical compound with molecular formula C23H21N3OS3 and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide, 2-{[2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
| Molecular Formula | C23H21N3OS3 |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 6.176 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0847 |
| Heavy Atoms | 30 |
| Complexity | 1246.1432 |
Chemical Identifiers
| CAS Number | 799781-17-2 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC=CC5=CC=CC=C54 |
Product Overview
2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 799781-17-2), with molecular formula C23H21N3OS3 and molecular weight 451.08 g/mol. IUPAC: 2-[(2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide
Property Insights of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide
The XLogP value of 6.176 indicates that 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide?
The CAS number of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide is 799781-17-2.
What is the molecular formula of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide?
The molecular formula of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide is C23H21N3OS3.
What is the molecular weight of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide?
The molecular weight of 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide is 451.08 g/mol.
Where can I buy 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide?
You can request a quote for 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-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-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(methylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.