![2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide structure](/static/products/851/851409-48-8.png)
2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
TL;DR: 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CAS 851409-48-8) is a chemical compound with molecular formula C18H18F3N3O3S2 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide, F0612-0111, 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
| Molecular Formula | C18H18F3N3O3S2 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 3.9293 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.07416 |
| Heavy Atoms | 29 |
| Complexity | 961.79443 |
Chemical Identifiers
| CAS Number | 851409-48-8 |
|---|---|
| SMILES | CCN1C(=O)C2=C(CC(S2)C)N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CAS 851409-48-8), with molecular formula C18H18F3N3O3S2 and molecular weight 445.07 g/mol. IUPAC: 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Property Insights of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
The XLogP value of 3.9293 indicates that 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide. Following Lipinski's Rule of Five, 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]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-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The CAS number of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is 851409-48-8.
What is the molecular formula of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The molecular formula of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is C18H18F3N3O3S2.
What is the molecular weight of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The molecular weight of 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is 445.07 g/mol.
Where can I buy 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
You can request a quote for 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]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-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.